1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

C32H35N5O2 — CID 59527808

IUPAC1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C32H35N5O2/c1-25(27-8-4-2-5-9-27)34-30(38)32(28-10-6-3-7-11-28)16-18-36(19-17-32)31(39)37-22-20-35(21-23-37)29-14-12-26(24-33)13-15-29/h2-15,25H,16-23H2,1H3,(H,34,38)/t25-/m0/s1
InChIKeyZWZFXSZBDRDSJH-VWLOTQADSA-N
MW521.67 g/mol
LogP4.71
Rot. Bonds5

About 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 59527808) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID59527808
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC Name1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C32H35N5O2/c1-25(27-8-4-2-5-9-27)34-30(38)32(28-10-6-3-7-11-28)16-18-36(19-17-32)31(39)37-22-20-35(21-23-37)29-14-12-26(24-33)13-15-29/h2-15,25H,16-23H2,1H3,(H,34,38)/t25-/m0/s1
InChIKeyZWZFXSZBDRDSJH-VWLOTQADSA-N
XLogP4.71
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
4-phenyl-N-[(1S)-1-phenylethyl]-1-(4-piperidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 59527796
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56811633
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 68506569
1-acetyl-N-[1-(4-chlorophenyl)ethyl]-4-phenylpiperidine-4-carboxamide
CID 55368369
1-[4-(2-oxopiperidin-1-yl)benzoyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527743
1-(2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 59527728
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527744
4-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]benzonitrile
CID 113081045
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide (CID 59527808) is 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is ZWZFXSZBDRDSJH-VWLOTQADSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-25(27-8-4-2-5-9-27)34-30(38)32(28-10-6-3-7-11-28)16-18-36(19-17-32)31(39)37-22-20-35(21-23-37)29-14-12-26(24-33)13-15-29/h2-15,25H,16-23H2,1H3,(H,34,38)/t25-/m0/s1.
What are the key properties of 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide?
1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-4-phenyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 59527808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).