(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C20H25N3O — CID 119395281

IUPAC(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c1-21-14-16-8-7-13-23(15-16)20(24)18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h2-6,9-12,16,21-22H,7-8,13-15H2,1H3
InChIKeyONEOCSKXCOTVRP-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.50
Rot. Bonds5

About (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119395281) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119395281
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c1-21-14-16-8-7-13-23(15-16)20(24)18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h2-6,9-12,16,21-22H,7-8,13-15H2,1H3
InChIKeyONEOCSKXCOTVRP-UHFFFAOYSA-N
XLogP3.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119398279
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119396946
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119395281) is (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1.
What is the InChIKey of (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ONEOCSKXCOTVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-21-14-16-8-7-13-23(15-16)20(24)18-11-5-6-12-19(18)22-17-9-3-2-4-10-17/h2-6,9-12,16,21-22H,7-8,13-15H2,1H3.
What are the key properties of (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119395281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).