1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone

C20H22N2O2 — CID 119062026

IUPAC1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cccc(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C20H22N2O2/c1-14(23)18-9-2-3-10-19(18)15-6-4-7-16(12-15)20(24)22-11-5-8-17(21)13-22/h2-4,6-7,9-10,12,17H,5,8,11,13,21H2,1H3
InChIKeyNJGWGYDRFUPXQA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.12
Rot. Bonds3

About 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone

1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone (PubChem CID 119062026) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
PubChem CID119062026
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1cccc(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C20H22N2O2/c1-14(23)18-9-2-3-10-19(18)15-6-4-7-16(12-15)20(24)22-11-5-8-17(21)13-22/h2-4,6-7,9-10,12,17H,5,8,11,13,21H2,1H3
InChIKeyNJGWGYDRFUPXQA-UHFFFAOYSA-N
XLogP3.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3S)-3-aminopiperidine-1-carbonyl]phenyl]chromen-2-one
CID 171914664
(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
2-[3-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]benzamide
CID 119069105
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
1-[2-[3-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]phenyl]phenyl]ethanone
CID 119074298
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
CID 176515168
1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
CID 126438840
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
CID 126442176

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone (CID 119062026) is 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone is CC(=O)c1ccccc1-c1cccc(C(=O)N2CCCC(N)C2)c1.
What is the InChIKey of 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone?
The InChIKey is NJGWGYDRFUPXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(23)18-9-2-3-10-19(18)15-6-4-7-16(12-15)20(24)22-11-5-8-17(21)13-22/h2-4,6-7,9-10,12,17H,5,8,11,13,21H2,1H3.
What are the key properties of 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone?
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 119062026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).