N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide

C24H27FN4O2 — CID 42290688

IUPACN-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nc2ccc(C(=O)N3CCC(CCC(=O)NCc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C24H27FN4O2/c1-16-27-21-8-5-19(14-22(21)28-16)24(31)29-12-10-17(11-13-29)4-9-23(30)26-15-18-2-6-20(25)7-3-18/h2-3,5-8,14,17H,4,9-13,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyXSACAZUMGFHUTQ-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.96
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 42290688) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID42290688
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nc2ccc(C(=O)N3CCC(CCC(=O)NCc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C24H27FN4O2/c1-16-27-21-8-5-19(14-22(21)28-16)24(31)29-12-10-17(11-13-29)4-9-23(30)26-15-18-2-6-20(25)7-3-18/h2-3,5-8,14,17H,4,9-13,15H2,1H3,(H,26,30)(H,27,28)
InChIKeyXSACAZUMGFHUTQ-UHFFFAOYSA-N
XLogP3.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45210275
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
N-[(4-fluorophenyl)methyl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 25381636
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
3-(1-benzylpiperidin-4-yl)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 10292083
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide (CID 42290688) is N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1nc2ccc(C(=O)N3CCC(CCC(=O)NCc4ccc(F)cc4)CC3)cc2[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is XSACAZUMGFHUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-27-21-8-5-19(14-22(21)28-16)24(31)29-12-10-17(11-13-29)4-9-23(30)26-15-18-2-6-20(25)7-3-18/h2-3,5-8,14,17H,4,9-13,15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 422.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42290688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).