3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C15H21ClN2O — CID 25236690

IUPAC3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)18-8-6-14(7-9-18)17-15(19)12-4-3-5-13(16)10-12/h3-5,10-11,14H,6-9H2,1-2H3,(H,17,19)
InChIKeyXIYBADOARKOOTG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.94
Rot. Bonds3

About 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide

3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 25236690) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID25236690
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(2)18-8-6-14(7-9-18)17-15(19)12-4-3-5-13(16)10-12/h3-5,10-11,14H,6-9H2,1-2H3,(H,17,19)
InChIKeyXIYBADOARKOOTG-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-chloro-N-[1-(dimethylsulfamoyl)piperidin-4-yl]benzamide
CID 110823144
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324060

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 25236690) is 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is XIYBADOARKOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(2)18-8-6-14(7-9-18)17-15(19)12-4-3-5-13(16)10-12/h3-5,10-11,14H,6-9H2,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 25236690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).