(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C19H24ClN3O — CID 119488243

IUPAC(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-20-16-10-7-13-22(14-16)19(23)17-11-5-6-12-18(17)21-15-8-3-2-4-9-15;/h2-6,8-9,11-12,16,20-21H,7,10,13-14H2,1H3;1H
InChIKeyGLCDHYYCBNAVNL-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.68
Rot. Bonds4

About (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119488243) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119488243
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-20-16-10-7-13-22(14-16)19(23)17-11-5-6-12-18(17)21-15-8-3-2-4-9-15;/h2-6,8-9,11-12,16,20-21H,7,10,13-14H2,1H3;1H
InChIKeyGLCDHYYCBNAVNL-UHFFFAOYSA-N
XLogP3.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119491725
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119491726
(2-anilinophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635435
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 129325046

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119488243) is (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1.Cl.
What is the InChIKey of (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is GLCDHYYCBNAVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-20-16-10-7-13-22(14-16)19(23)17-11-5-6-12-18(17)21-15-8-3-2-4-9-15;/h2-6,8-9,11-12,16,20-21H,7,10,13-14H2,1H3;1H.
What are the key properties of (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119488243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).