4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide

C21H24ClN3O2 — CID 55898345

IUPAC4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
SMILESCC1CCCN(C(=O)CNc2ccccc2NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24ClN3O2/c1-15-5-4-12-25(14-15)20(26)13-23-18-6-2-3-7-19(18)24-21(27)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,24,27)
InChIKeyDOKRCPXHBRHQPL-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.26
Rot. Bonds5

About 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide

4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 55898345) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
PubChem CID55898345
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
SMILESCC1CCCN(C(=O)CNc2ccccc2NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24ClN3O2/c1-15-5-4-12-25(14-15)20(26)13-23-18-6-2-3-7-19(18)24-21(27)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,24,27)
InChIKeyDOKRCPXHBRHQPL-UHFFFAOYSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94631571
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide (CID 55898345) is 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide is CC1CCCN(C(=O)CNc2ccccc2NC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is DOKRCPXHBRHQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15-5-4-12-25(14-15)20(26)13-23-18-6-2-3-7-19(18)24-21(27)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,24,27).
What are the key properties of 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 385.90 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 55898345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).