N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide

C16H21ClN2O2 — CID 110819269

IUPACN-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
SMILESCCCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN2O2/c1-2-5-15(20)19-10-8-12(9-11-19)18-16(21)13-6-3-4-7-14(13)17/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,18,21)
InChIKeyYBIPMDOYVSQCNS-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.86
Rot. Bonds4

About N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide

N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide (PubChem CID 110819269) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
PubChem CID110819269
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
SMILESCCCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClN2O2/c1-2-5-15(20)19-10-8-12(9-11-19)18-16(21)13-6-3-4-7-14(13)17/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,18,21)
InChIKeyYBIPMDOYVSQCNS-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653408
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
CID 108555185
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
2-chloro-N-[4-(ethylamino)cyclohexyl]benzamide
CID 43653317

Frequently Asked Questions

What is the IUPAC name of N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide?
The IUPAC name of N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide (CID 110819269) is N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide?
The canonical SMILES for N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide is CCCC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide?
The InChIKey is YBIPMDOYVSQCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-2-5-15(20)19-10-8-12(9-11-19)18-16(21)13-6-3-4-7-14(13)17/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,18,21).
What are the key properties of N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide?
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide has a molecular weight of 308.81 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide is sourced from PubChem (CID 110819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).