N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide

C24H29N5O2 — CID 21471605

IUPACN-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(C1CCNCC1)C1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H29N5O2/c30-23(17-4-3-13-26-16-17)28(20-11-14-25-15-12-20)18-7-9-19(10-8-18)29-22-6-2-1-5-21(22)27-24(29)31/h1-6,13,16,18-20,25H,7-12,14-15H2,(H,27,31)
InChIKeyCGOCUWBOBMCIOB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.10
Rot. Bonds4

About N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide

N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 21471605) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide
PubChem CID21471605
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(C1CCNCC1)C1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H29N5O2/c30-23(17-4-3-13-26-16-17)28(20-11-14-25-15-12-20)18-7-9-19(10-8-18)29-22-6-2-1-5-21(22)27-24(29)31/h1-6,13,16,18-20,25H,7-12,14-15H2,(H,27,31)
InChIKeyCGOCUWBOBMCIOB-UHFFFAOYSA-N
XLogP3.10
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
1-piperidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;hydrobromide
CID 122236400
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
1-cyclopropyl-2-oxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 126837543
3-[1-[2-[4-fluoro-1-(pyridine-3-carbonyl)piperidin-4-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10276650
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 136522609
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 41046019
3-[1-[1-[(2S)-2-amino-3-pyridin-3-ylpropanoyl]piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54304920
3-[1-[1-(pyridazine-4-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54325846

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide (CID 21471605) is N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide is O=C(c1cccnc1)N(C1CCNCC1)C1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is CGOCUWBOBMCIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-23(17-4-3-13-26-16-17)28(20-11-14-25-15-12-20)18-7-9-19(10-8-18)29-22-6-2-1-5-21(22)27-24(29)31/h1-6,13,16,18-20,25H,7-12,14-15H2,(H,27,31).
What are the key properties of N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide?
N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]-N-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 21471605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).