(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one

C15H20N4O — CID 66785121

IUPAC(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-10(16)15(20)19-8-4-5-11(9-19)14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11H,4-5,8-9,16H2,1H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyLGRARVWJRDMERJ-VUWPPUDQSA-N
MW272.35 g/mol
LogP1.62
Rot. Bonds2

About (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 66785121) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID66785121
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-10(16)15(20)19-8-4-5-11(9-19)14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11H,4-5,8-9,16H2,1H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyLGRARVWJRDMERJ-VUWPPUDQSA-N
XLogP1.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
(3S)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 66791506
(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-8-nitrononan-1-one
CID 66786411
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 56933092
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one (CID 66785121) is (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is LGRARVWJRDMERJ-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(16)15(20)19-8-4-5-11(9-19)14-17-12-6-2-3-7-13(12)18-14/h2-3,6-7,10-11H,4-5,8-9,16H2,1H3,(H,17,18)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 66785121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).