2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

C25H36ClN3O3 — CID 93197158

IUPAC2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
SMILESCC(C)(C)CC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H36ClN3O3/c1-25(2,3)17-21(30)28-15-11-18(12-16-28)22(24(32)29-13-7-4-8-14-29)27-23(31)19-9-5-6-10-20(19)26/h5-6,9-10,18,22H,4,7-8,11-17H2,1-3H3,(H,27,31)/t22-/m0/s1
InChIKeyJAHGHHOXGOKZDR-QFIPXVFZSA-N
MW462.03 g/mol
LogP4.13
Rot. Bonds5

About 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (PubChem CID 93197158) has the molecular formula C25H36ClN3O3 and a molecular weight of 462.03 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
PubChem CID93197158
Molecular FormulaC25H36ClN3O3
Molecular Weight462.03 g/mol
Exact Mass461.24
IUPAC Name2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
SMILESCC(C)(C)CC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H36ClN3O3/c1-25(2,3)17-21(30)28-15-11-18(12-16-28)22(24(32)29-13-7-4-8-14-29)27-23(31)19-9-5-6-10-20(19)26/h5-6,9-10,18,22H,4,7-8,11-17H2,1-3H3,(H,27,31)/t22-/m0/s1
InChIKeyJAHGHHOXGOKZDR-QFIPXVFZSA-N
XLogP4.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.03
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide with MolForge

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Related Compounds

4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide
CID 93200202
2-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93196510
2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 93196527
2-methyl-N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 46019098
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46019084
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197838
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42682685
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197287
2,4-dichloro-N-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-phenylmethyl]benzamide
CID 70842943
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019124
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 93196523

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (CID 93197158) is 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is CC(C)(C)CC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The InChIKey is JAHGHHOXGOKZDR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H36ClN3O3/c1-25(2,3)17-21(30)28-15-11-18(12-16-28)22(24(32)29-13-7-4-8-14-29)27-23(31)19-9-5-6-10-20(19)26/h5-6,9-10,18,22H,4,7-8,11-17H2,1-3H3,(H,27,31)/t22-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide has a molecular weight of 462.03 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 93197158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).