N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

C28H29FN4O2 — CID 55837397

IUPACN-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2c(CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C28H29FN4O2/c1-35-24-12-10-23(11-13-24)33-26-5-3-2-4-25(26)31-27(33)19-32-16-14-21(15-17-32)28(34)30-18-20-6-8-22(29)9-7-20/h2-13,21H,14-19H2,1H3,(H,30,34)
InChIKeyKFASBDZFEWKACX-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.70
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 55837397) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID55837397
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2c(CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C28H29FN4O2/c1-35-24-12-10-23(11-13-24)33-26-5-3-2-4-25(26)31-27(33)19-32-16-14-21(15-17-32)28(34)30-18-20-6-8-22(29)9-7-20/h2-13,21H,14-19H2,1H3,(H,30,34)
InChIKeyKFASBDZFEWKACX-UHFFFAOYSA-N
XLogP4.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631
1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119908334
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914150
N-benzyl-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124781900
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butylpiperidine-4-carboxamide
CID 124823860
tert-butyl N-[1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]carbamate
CID 60512394
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782099
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 124814031
(3S)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746448

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (CID 55837397) is N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is COc1ccc(-n2c(CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)nc3ccccc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is KFASBDZFEWKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-35-24-12-10-23(11-13-24)33-26-5-3-2-4-25(26)31-27(33)19-32-16-14-21(15-17-32)28(34)30-18-20-6-8-22(29)9-7-20/h2-13,21H,14-19H2,1H3,(H,30,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55837397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).