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

C23H32N6O2 — CID 134798664

IUPACN-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C23H32N6O2/c30-22(17-5-4-12-29(15-17)23(31)25-18-6-1-2-7-18)28-13-9-16(10-14-28)20-26-19-8-3-11-24-21(19)27-20/h3,8,11,16-18H,1-2,4-7,9-10,12-15H2,(H,25,31)(H,24,26,27)
InChIKeyJPXAFGGILWZVAC-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.03
Rot. Bonds3

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

N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 134798664) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID134798664
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC NameN-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C23H32N6O2/c30-22(17-5-4-12-29(15-17)23(31)25-18-6-1-2-7-18)28-13-9-16(10-14-28)20-26-19-8-3-11-24-21(19)27-20/h3,8,11,16-18H,1-2,4-7,9-10,12-15H2,(H,25,31)(H,24,26,27)
InChIKeyJPXAFGGILWZVAC-UHFFFAOYSA-N
XLogP3.03
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134796615
1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134799971
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 134800138
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
CID 134796294
CID 134799766
CID 134799766
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55576245
CID 134798803
CID 134798803
[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134793641
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795090
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 134798256

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (CID 134798664) is N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1.
What is the InChIKey of N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is JPXAFGGILWZVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c30-22(17-5-4-12-29(15-17)23(31)25-18-6-1-2-7-18)28-13-9-16(10-14-28)20-26-19-8-3-11-24-21(19)27-20/h3,8,11,16-18H,1-2,4-7,9-10,12-15H2,(H,25,31)(H,24,26,27).
What are the key properties of N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 134798664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).