[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone

C24H26ClN5O2 — CID 134793641

IUPAC[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-19-4-1-3-18(15-19)24(32)30-13-8-17(9-14-30)23(31)29-11-6-16(7-12-29)21-27-20-5-2-10-26-22(20)28-21/h1-5,10,15-17H,6-9,11-14H2,(H,26,27,28)
InChIKeySWUAMVICNMXFHT-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.87
Rot. Bonds3

About [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone

[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 134793641) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID134793641
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-19-4-1-3-18(15-19)24(32)30-13-8-17(9-14-30)23(31)29-11-6-16(7-12-29)21-27-20-5-2-10-26-22(20)28-21/h1-5,10,15-17H,6-9,11-14H2,(H,26,27,28)
InChIKeySWUAMVICNMXFHT-UHFFFAOYSA-N
XLogP3.87
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795090
N-cyclopentyl-4-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134796615
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
CID 134796294
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 134800138
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134798664
1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134799971
CID 134799766
CID 134799766
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
CID 134798803
CID 134798803
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 134793641) is [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)CC1.
What is the InChIKey of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is SWUAMVICNMXFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-19-4-1-3-18(15-19)24(32)30-13-8-17(9-14-30)23(31)29-11-6-16(7-12-29)21-27-20-5-2-10-26-22(20)28-21/h1-5,10,15-17H,6-9,11-14H2,(H,26,27,28).
What are the key properties of [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 451.96 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134793641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).