4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide

C25H30ClN3O3 — CID 55693102

IUPAC4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H30ClN3O3/c1-17(2)22(28-23(30)19-9-11-21(26)12-10-19)24(31)27-16-18-7-6-8-20(15-18)25(32)29-13-4-3-5-14-29/h6-12,15,17,22H,3-5,13-14,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWTZCVJGRGZRVIE-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.04
Rot. Bonds7

About 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide (PubChem CID 55693102) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide
PubChem CID55693102
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H30ClN3O3/c1-17(2)22(28-23(30)19-9-11-21(26)12-10-19)24(31)27-16-18-7-6-8-20(15-18)25(32)29-13-4-3-5-14-29/h6-12,15,17,22H,3-5,13-14,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWTZCVJGRGZRVIE-UHFFFAOYSA-N
XLogP4.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide
CID 55883848
N-[(2S)-1-[(3-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7997570
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
N-[3-[[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862760
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4266807
3-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]benzamide
CID 55586482
N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46477196
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 97060567
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide (CID 55693102) is 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide?
The InChIKey is WTZCVJGRGZRVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-17(2)22(28-23(30)19-9-11-21(26)12-10-19)24(31)27-16-18-7-6-8-20(15-18)25(32)29-13-4-3-5-14-29/h6-12,15,17,22H,3-5,13-14,16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide has a molecular weight of 455.99 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide is sourced from PubChem (CID 55693102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).