N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide

C18H21FN4O2 — CID 126831173

IUPACN-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)c2ccc3[nH]cnc3c2F)C1
InChIInChI=1S/C18H21FN4O2/c19-15-13(5-6-14-16(15)22-10-21-14)18(25)23-7-1-2-12(9-23)17(24)20-8-11-3-4-11/h5-6,10-12H,1-4,7-9H2,(H,20,24)(H,21,22)
InChIKeyLMJYZIZHFKDHBI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.08
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 126831173) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID126831173
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)c2ccc3[nH]cnc3c2F)C1
InChIInChI=1S/C18H21FN4O2/c19-15-13(5-6-14-16(15)22-10-21-14)18(25)23-7-1-2-12(9-23)17(24)20-8-11-3-4-11/h5-6,10-12H,1-4,7-9H2,(H,20,24)(H,21,22)
InChIKeyLMJYZIZHFKDHBI-UHFFFAOYSA-N
XLogP2.08
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
(3R)-1-(4-cyclohexylbenzoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 51954362
N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 78882073
N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 127267373
(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394746
N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 139006709
N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide
CID 55748195
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide (CID 126831173) is N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(C(=O)c2ccc3[nH]cnc3c2F)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is LMJYZIZHFKDHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-13(5-6-14-16(15)22-10-21-14)18(25)23-7-1-2-12(9-23)17(24)20-8-11-3-4-11/h5-6,10-12H,1-4,7-9H2,(H,20,24)(H,21,22).
What are the key properties of N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-fluoro-1H-benzimidazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 126831173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).