[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone

C19H20N2O2 — CID 119699757

IUPAC[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESNc1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H20N2O2/c20-17-8-4-7-16(13-17)19(23)21-11-9-15(10-12-21)18(22)14-5-2-1-3-6-14/h1-8,13,15H,9-12,20H2
InChIKeyUFWNJEXCLGUHSL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.00
Rot. Bonds3

About [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone

[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone (PubChem CID 119699757) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
PubChem CID119699757
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESNc1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H20N2O2/c20-17-8-4-7-16(13-17)19(23)21-11-9-15(10-12-21)18(22)14-5-2-1-3-6-14/h1-8,13,15H,9-12,20H2
InChIKeyUFWNJEXCLGUHSL-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039
[1-[3-(methylsulfinylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 18145982
(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 75412242
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119765253

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone (CID 119699757) is [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone is Nc1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is UFWNJEXCLGUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-17-8-4-7-16(13-17)19(23)21-11-9-15(10-12-21)18(22)14-5-2-1-3-6-14/h1-8,13,15H,9-12,20H2.
What are the key properties of [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone?
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 308.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 119699757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).