3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

C23H27N5O — CID 55696056

IUPAC3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C23H27N5O/c29-23(26-20-11-3-4-12-21(20)27-13-5-6-14-27)28-15-7-8-17(16-28)22-24-18-9-1-2-10-19(18)25-22/h1-4,9-12,17H,5-8,13-16H2,(H,24,25)(H,26,29)
InChIKeyAHRYRBDXMGOIMG-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.57
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 55696056) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
PubChem CID55696056
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C23H27N5O/c29-23(26-20-11-3-4-12-21(20)27-13-5-6-14-27)28-15-7-8-17(16-28)22-24-18-9-1-2-10-19(18)25-22/h1-4,9-12,17H,5-8,13-16H2,(H,24,25)(H,26,29)
InChIKeyAHRYRBDXMGOIMG-UHFFFAOYSA-N
XLogP4.57
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 51590631
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 166205070
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide
CID 55697774
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide (CID 55696056) is 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide is O=C(Nc1ccccc1N1CCCC1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
The InChIKey is AHRYRBDXMGOIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(26-20-11-3-4-12-21(20)27-13-5-6-14-27)28-15-7-8-17(16-28)22-24-18-9-1-2-10-19(18)25-22/h1-4,9-12,17H,5-8,13-16H2,(H,24,25)(H,26,29).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 55696056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).