(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one

C23H28N4O — CID 56933092

IUPAC(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
SMILESN[C@H](CCc1ccccc1)CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C23H28N4O/c24-19(13-12-17-7-2-1-3-8-17)15-22(28)27-14-6-9-18(16-27)23-25-20-10-4-5-11-21(20)26-23/h1-5,7-8,10-11,18-19H,6,9,12-16,24H2,(H,25,26)/t18?,19-/m1/s1
InChIKeyJQHZJLIWGWBFOR-MUMRKEEXSA-N
MW376.50 g/mol
LogP3.62
Rot. Bonds6

About (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one

(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one (PubChem CID 56933092) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
PubChem CID56933092
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
SMILESN[C@H](CCc1ccccc1)CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C23H28N4O/c24-19(13-12-17-7-2-1-3-8-17)15-22(28)27-14-6-9-18(16-27)23-25-20-10-4-5-11-21(20)26-23/h1-5,7-8,10-11,18-19H,6,9,12-16,24H2,(H,25,26)/t18?,19-/m1/s1
InChIKeyJQHZJLIWGWBFOR-MUMRKEEXSA-N
XLogP3.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-8-nitrononan-1-one
CID 66786411
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
(3S)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 66791506
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
CID 55790773
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
(3S)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474217
(3R)-3-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 51474218
N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51317520

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
The IUPAC name of (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one (CID 56933092) is (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one.
What is the SMILES notation for (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
The canonical SMILES for (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one is N[C@H](CCc1ccccc1)CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
The InChIKey is JQHZJLIWGWBFOR-MUMRKEEXSA-N. The full InChI is InChI=1S/C23H28N4O/c24-19(13-12-17-7-2-1-3-8-17)15-22(28)27-14-6-9-18(16-27)23-25-20-10-4-5-11-21(20)26-23/h1-5,7-8,10-11,18-19H,6,9,12-16,24H2,(H,25,26)/t18?,19-/m1/s1.
What are the key properties of (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
(3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one has a molecular weight of 376.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 56933092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).