2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide

C16H22Cl2N2O — CID 79700911

IUPAC2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-2-9-20(11-12-5-7-19-8-6-12)16(21)14-4-3-13(17)10-15(14)18/h3-4,10,12,19H,2,5-9,11H2,1H3
InChIKeyUCSXPMHJZXTIHH-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.85
Rot. Bonds5

About 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide

2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide (PubChem CID 79700911) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
PubChem CID79700911
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCNCC1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-2-9-20(11-12-5-7-19-8-6-12)16(21)14-4-3-13(17)10-15(14)18/h3-4,10,12,19H,2,5-9,11H2,1H3
InChIKeyUCSXPMHJZXTIHH-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide (CID 79700911) is 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide is CCCN(CC1CCNCC1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
The InChIKey is UCSXPMHJZXTIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-9-20(11-12-5-7-19-8-6-12)16(21)14-4-3-13(17)10-15(14)18/h3-4,10,12,19H,2,5-9,11H2,1H3.
What are the key properties of 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide?
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide has a molecular weight of 329.27 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 79700911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).