2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C15H22Cl2N2O — CID 119826015

IUPAC2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccccc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-2-11-18(12-7-9-17-10-8-12)15(19)13-5-3-4-6-14(13)16;/h3-6,12,17H,2,7-11H2,1H3;1H
InChIKeyYOWXWIVXWNKGOA-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.37
Rot. Bonds4

About 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119826015) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119826015
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccccc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-2-11-18(12-7-9-17-10-8-12)15(19)13-5-3-4-6-14(13)16;/h3-6,12,17H,2,7-11H2,1H3;1H
InChIKeyYOWXWIVXWNKGOA-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
CID 11162642
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826026
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
CID 119826213
2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119826015) is 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccccc1Cl)C1CCNCC1.Cl.
What is the InChIKey of 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is YOWXWIVXWNKGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-2-11-18(12-7-9-17-10-8-12)15(19)13-5-3-4-6-14(13)16;/h3-6,12,17H,2,7-11H2,1H3;1H.
What are the key properties of 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119826015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).