1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide

C28H33N5O3 — CID 69189295

IUPAC1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(C(N)=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C28H33N5O3/c1-18-2-5-23(16-24(18)25(27(31)35)32-12-10-22(11-13-32)26(30)34)28(36)33-14-8-21(9-15-33)20-6-3-19(17-29)4-7-20/h2-7,16,21-22,25H,8-15H2,1H3,(H2,30,34)(H2,31,35)
InChIKeyPJUNLGWUQNPSGA-UHFFFAOYSA-N
MW487.60 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide

1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 69189295) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID69189295
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(C(N)=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C28H33N5O3/c1-18-2-5-23(16-24(18)25(27(31)35)32-12-10-22(11-13-32)26(30)34)28(36)33-14-8-21(9-15-33)20-6-3-19(17-29)4-7-20/h2-7,16,21-22,25H,8-15H2,1H3,(H2,30,34)(H2,31,35)
InChIKeyPJUNLGWUQNPSGA-UHFFFAOYSA-N
XLogP2.61
TPSA133.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

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]cyclopentanecarboxamide
CID 25107001
3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pentan-3-ylurea
CID 69168670
4-[1-[3-[(E)-1-amino-2-chloro-3-iminoprop-1-enyl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 138717802
3-amino-4-methylbenzoic acid;4-[1-(3-amino-4-methylbenzoyl)piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 162219922
3-[N-carbamoyl-5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]propanamide
CID 68952546
4-[1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 90874745
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
4-[1-[3-(2,5-dimethyl-2,3-dihydro-1H-imidazol-4-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 138717615
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-methoxycyclohexane-1-carboxamide
CID 25107185

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide (CID 69189295) is 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(C(N)=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is PJUNLGWUQNPSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-18-2-5-23(16-24(18)25(27(31)35)32-12-10-22(11-13-32)26(30)34)28(36)33-14-8-21(9-15-33)20-6-3-19(17-29)4-7-20/h2-7,16,21-22,25H,8-15H2,1H3,(H2,30,34)(H2,31,35).
What are the key properties of 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 69189295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).