3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide

C16H22Cl2N2O — CID 106625495

IUPAC3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)12-6-7-14(17)15(18)10-12/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyTVGPTKCHFAPTNJ-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.99
Rot. Bonds5

About 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide

3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide (PubChem CID 106625495) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
PubChem CID106625495
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)12-6-7-14(17)15(18)10-12/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyTVGPTKCHFAPTNJ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106753772
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide (CID 106625495) is 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCN1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The InChIKey is TVGPTKCHFAPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)12-6-7-14(17)15(18)10-12/h6-7,10,13,19H,2-5,8-9,11H2,1H3.
What are the key properties of 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide has a molecular weight of 329.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 106625495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).