4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide

C21H28ClN5O3 — CID 21102082

IUPAC4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide
SMILESNC(=O)n1c(=O)[nH]c2c(Cl)cc(CCC(=O)N3CCC(N4CCCCC4)CC3)cc21
InChIInChI=1S/C21H28ClN5O3/c22-16-12-14(13-17-19(16)24-21(30)27(17)20(23)29)4-5-18(28)26-10-6-15(7-11-26)25-8-2-1-3-9-25/h12-13,15H,1-11H2,(H2,23,29)(H,24,30)
InChIKeyBYIBRNWJTBPXSZ-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.32
Rot. Bonds4

About 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide

4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide (PubChem CID 21102082) has the molecular formula C21H28ClN5O3 and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide
PubChem CID21102082
Molecular FormulaC21H28ClN5O3
Molecular Weight433.94 g/mol
Exact Mass433.19
IUPAC Name4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide
SMILESNC(=O)n1c(=O)[nH]c2c(Cl)cc(CCC(=O)N3CCC(N4CCCCC4)CC3)cc21
InChIInChI=1S/C21H28ClN5O3/c22-16-12-14(13-17-19(16)24-21(30)27(17)20(23)29)4-5-18(28)26-10-6-15(7-11-26)25-8-2-1-3-9-25/h12-13,15H,1-11H2,(H2,23,29)(H,24,30)
InChIKeyBYIBRNWJTBPXSZ-UHFFFAOYSA-N
XLogP2.32
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide with MolForge

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Related Compounds

7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide
CID 21102084
3-(7-methyl-1H-indazol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 91382816
[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate
CID 21102009
4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
CID 18452009
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
4-[1-[3-(3,4-diethylphenyl)propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094944
5-[2-amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-7-ethyl-3-methyl-1H-benzimidazol-2-one
CID 69104666
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one
CID 91807907
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide?
The IUPAC name of 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide (CID 21102082) is 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide?
The canonical SMILES for 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide is NC(=O)n1c(=O)[nH]c2c(Cl)cc(CCC(=O)N3CCC(N4CCCCC4)CC3)cc21.
What is the InChIKey of 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide?
The InChIKey is BYIBRNWJTBPXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O3/c22-16-12-14(13-17-19(16)24-21(30)27(17)20(23)29)4-5-18(28)26-10-6-15(7-11-26)25-8-2-1-3-9-25/h12-13,15H,1-11H2,(H2,23,29)(H,24,30).
What are the key properties of 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide?
4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 21102082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).