(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide

C26H33FN4O — CID 124808449

IUPAC(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C26H33FN4O/c1-3-15-30(16-4-2)26(32)20-8-7-17-29(18-20)19-25-28-23-9-5-6-10-24(23)31(25)22-13-11-21(27)12-14-22/h5-6,9-14,20H,3-4,7-8,15-19H2,1-2H3/t20-/m1/s1
InChIKeyULSZIMKBCKOSHH-HXUWFJFHSA-N
MW436.58 g/mol
LogP5.03
Rot. Bonds8

About (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide

(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 124808449) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
PubChem CID124808449
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C26H33FN4O/c1-3-15-30(16-4-2)26(32)20-8-7-17-29(18-20)19-25-28-23-9-5-6-10-24(23)31(25)22-13-11-21(27)12-14-22/h5-6,9-14,20H,3-4,7-8,15-19H2,1-2H3/t20-/m1/s1
InChIKeyULSZIMKBCKOSHH-HXUWFJFHSA-N
XLogP5.03
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
(3R)-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124824164
(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124916392
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-3-carboxamide
CID 124823906
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124807103
(3R)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-3-carboxamide
CID 124825872
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 124805655
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 124824680

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide (CID 124808449) is (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide is CCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is ULSZIMKBCKOSHH-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-3-15-30(16-4-2)26(32)20-8-7-17-29(18-20)19-25-28-23-9-5-6-10-24(23)31(25)22-13-11-21(27)12-14-22/h5-6,9-14,20H,3-4,7-8,15-19H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide?
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 124808449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).