N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide

C17H25ClN2O — CID 11162642

IUPACN-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
SMILESCCCCN(C(=O)c1cccc(Cl)c1C)C1CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-3-4-12-20(14-8-10-19-11-9-14)17(21)15-6-5-7-16(18)13(15)2/h5-7,14,19H,3-4,8-12H2,1-2H3
InChIKeyNUGBIUJDLASMOZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.64
Rot. Bonds5

About N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide

N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide (PubChem CID 11162642) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
PubChem CID11162642
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
SMILESCCCCN(C(=O)c1cccc(Cl)c1C)C1CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-3-4-12-20(14-8-10-19-11-9-14)17(21)15-6-5-7-16(18)13(15)2/h5-7,14,19H,3-4,8-12H2,1-2H3
InChIKeyNUGBIUJDLASMOZ-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 119530695
2,3-dichloro-N-(2-cyclopropylethyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 46883498
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide (CID 11162642) is N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide is CCCCN(C(=O)c1cccc(Cl)c1C)C1CCNCC1.
What is the InChIKey of N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is NUGBIUJDLASMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-4-12-20(14-8-10-19-11-9-14)17(21)15-6-5-7-16(18)13(15)2/h5-7,14,19H,3-4,8-12H2,1-2H3.
What are the key properties of N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide?
N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 11162642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).