N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide

C25H29FN4O2 — CID 75074771

IUPACN-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(CN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C25H29FN4O2/c1-16(27-24(31)20-14-19(20)17-6-3-2-4-7-17)15-29-12-10-18(11-13-29)30-22-9-5-8-21(26)23(22)28-25(30)32/h2-9,16,18-20H,10-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyFFHSXQLIDDMORH-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.41
Rot. Bonds6

About N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide

N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 75074771) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID75074771
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(CN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C25H29FN4O2/c1-16(27-24(31)20-14-19(20)17-6-3-2-4-7-17)15-29-12-10-18(11-13-29)30-22-9-5-8-21(26)23(22)28-25(30)32/h2-9,16,18-20H,10-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyFFHSXQLIDDMORH-UHFFFAOYSA-N
XLogP3.41
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-[(2S)-1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470185
trans-(1R,2R)-N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 44573119
trans-(1S,2S)-N-[(2S)-1-[4-[2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-1-yl]piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53469930
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210
5-fluoro-N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470150
N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane
CID 144647327
N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470148
trans-(1S,2S)-N-[2-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 53469953
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
methyl 2-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 91042796
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide (CID 75074771) is N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide is CC(CN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1)NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is FFHSXQLIDDMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-16(27-24(31)20-14-19(20)17-6-3-2-4-7-17)15-29-12-10-18(11-13-29)30-22-9-5-8-21(26)23(22)28-25(30)32/h2-9,16,18-20H,10-15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide?
N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 75074771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).