1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide

C80H90N12O8 — CID 87727864

IUPAC1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)CC1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)C1CCCC1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C28H32N4O3.C26H29N5O3.C26H29N3O2/c1-19-3-6-25(17-26(19)30-27(34)24-11-13-31(14-12-24)20(2)33)28(35)32-15-9-23(10-16-32)22-7-4-21(18-29)5-8-22;1-18-2-5-22(14-23(18)29-25(33)17-30-13-10-28-24(32)16-30)26(34)31-11-8-21(9-12-31)20-6-3-19(15-27)4-7-20;1-18-6-9-23(16-24(18)28-25(30)22-4-2-3-5-22)26(31)29-14-12-21(13-15-29)20-10-7-19(17-27)8-11-20/h3-8,17,23-24H,9-16H2,1-2H3,(H,30,34);2-7,14,21H,8-13,16-17H2,1H3,(H,28,32)(H,29,33);6-11,16,21-22H,2-5,12-15H2,1H3,(H,28,30)
InChIKeyZTLRZTUQEHXREP-UHFFFAOYSA-N
MW1347.68 g/mol
LogP11.36
Rot. Bonds13

About 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide

1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 87727864) has the molecular formula C80H90N12O8 and a molecular weight of 1347.68 g/mol. Its IUPAC name is 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound Name1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID87727864
Molecular FormulaC80H90N12O8
Molecular Weight1347.68 g/mol
Exact Mass1346.70
IUPAC Name1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)CC1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)C1CCCC1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)CN1CCNC(=O)C1
InChIInChI=1S/C28H32N4O3.C26H29N5O3.C26H29N3O2/c1-19-3-6-25(17-26(19)30-27(34)24-11-13-31(14-12-24)20(2)33)28(35)32-15-9-23(10-16-32)22-7-4-21(18-29)5-8-22;1-18-2-5-22(14-23(18)29-25(33)17-30-13-10-28-24(32)16-30)26(34)31-11-8-21(9-12-31)20-6-3-19(15-27)4-7-20;1-18-6-9-23(16-24(18)28-25(30)22-4-2-3-5-22)26(31)29-14-12-21(13-15-29)20-10-7-19(17-27)8-11-20/h3-8,17,23-24H,9-16H2,1-2H3,(H,30,34);2-7,14,21H,8-13,16-17H2,1H3,(H,28,32)(H,29,33);6-11,16,21-22H,2-5,12-15H2,1H3,(H,28,30)
InChIKeyZTLRZTUQEHXREP-UHFFFAOYSA-N
XLogP11.36
TPSA272.25 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.68
LogP ≤ 511.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide with MolForge

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Related Compounds

N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-methoxycyclohexane-1-carboxamide
CID 25107185
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 69166817
N-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
CID 89273037
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(6-oxopiperidin-3-yl)urea
CID 76593362
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(2,2-dimethylpropyl)urea
CID 25128972
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(1-propylpiperidin-4-yl)urea
CID 25129333
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]-3-methylbutanamide
CID 91449961
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyrimidine-4-carboxamide
CID 25107444

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 87727864) is 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide is CC(=O)N1CCC(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)CC1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)C1CCCC1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)CN1CCNC(=O)C1.
What is the InChIKey of 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is ZTLRZTUQEHXREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3.C26H29N5O3.C26H29N3O2/c1-19-3-6-25(17-26(19)30-27(34)24-11-13-31(14-12-24)20(2)33)28(35)32-15-9-23(10-16-32)22-7-4-21(18-29)5-8-22;1-18-2-5-22(14-23(18)29-25(33)17-30-13-10-28-24(32)16-30)26(34)31-11-8-21(9-12-31)20-6-3-19(15-27)4-7-20;1-18-6-9-23(16-24(18)28-25(30)22-4-2-3-5-22)26(31)29-14-12-21(13-15-29)20-10-7-19(17-27)8-11-20/h3-8,17,23-24H,9-16H2,1-2H3,(H,30,34);2-7,14,21H,8-13,16-17H2,1H3,(H,28,32)(H,29,33);6-11,16,21-22H,2-5,12-15H2,1H3,(H,28,30).
What are the key properties of 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 1347.68 g/mol, XLogP of 11.36, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]piperidine-4-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 87727864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).