3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C24H28N6O2 — CID 134797698

IUPAC3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)CC2)C1
InChIInChI=1S/C24H28N6O2/c31-23(18-5-4-12-30(16-18)24(32)26-19-6-2-1-3-7-19)29-13-9-17(10-14-29)22-27-20-8-11-25-15-21(20)28-22/h1-3,6-8,11,15,17-18H,4-5,9-10,12-14,16H2,(H,26,32)(H,27,28)
InChIKeyZCPJFDZSQNHLKA-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.61
Rot. Bonds3

About 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 134797698) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID134797698
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)CC2)C1
InChIInChI=1S/C24H28N6O2/c31-23(18-5-4-12-30(16-18)24(32)26-19-6-2-1-3-7-19)29-13-9-17(10-14-29)22-27-20-8-11-25-15-21(20)28-22/h1-3,6-8,11,15,17-18H,4-5,9-10,12-14,16H2,(H,26,32)(H,27,28)
InChIKeyZCPJFDZSQNHLKA-UHFFFAOYSA-N
XLogP3.61
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 134797698) is 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)CC2)C1.
What is the InChIKey of 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZCPJFDZSQNHLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-23(18-5-4-12-30(16-18)24(32)26-19-6-2-1-3-7-19)29-13-9-17(10-14-29)22-27-20-8-11-25-15-21(20)28-22/h1-3,6-8,11,15,17-18H,4-5,9-10,12-14,16H2,(H,26,32)(H,27,28).
What are the key properties of 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 134797698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).