1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

C30H34N6O — CID 46434350

IUPAC1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCc3ccccc3CN3CCN(c4ccccc4)CC3)CC2)nc1
InChIInChI=1S/C30H34N6O/c31-20-24-10-11-29(32-21-24)36-14-12-25(13-15-36)30(37)33-22-26-6-4-5-7-27(26)23-34-16-18-35(19-17-34)28-8-2-1-3-9-28/h1-11,21,25H,12-19,22-23H2,(H,33,37)
InChIKeyWPVBMKXEDVJGKS-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.81
Rot. Bonds7

About 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 46434350) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID46434350
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCc3ccccc3CN3CCN(c4ccccc4)CC3)CC2)nc1
InChIInChI=1S/C30H34N6O/c31-20-24-10-11-29(32-21-24)36-14-12-25(13-15-36)30(37)33-22-26-6-4-5-7-27(26)23-34-16-18-35(19-17-34)28-8-2-1-3-9-28/h1-11,21,25H,12-19,22-23H2,(H,33,37)
InChIKeyWPVBMKXEDVJGKS-UHFFFAOYSA-N
XLogP3.81
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (CID 46434350) is 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3CN3CCN(c4ccccc4)CC3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is WPVBMKXEDVJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c31-20-24-10-11-29(32-21-24)36-14-12-25(13-15-36)30(37)33-22-26-6-4-5-7-27(26)23-34-16-18-35(19-17-34)28-8-2-1-3-9-28/h1-11,21,25H,12-19,22-23H2,(H,33,37).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46434350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).