4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide

C16H23ClN2O — CID 106629289

IUPAC4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H23ClN2O/c1-3-19(11-13-5-4-8-18-10-13)16(20)14-6-7-15(17)12(2)9-14/h6-7,9,13,18H,3-5,8,10-11H2,1-2H3
InChIKeyXCESSXOZZINMEX-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.11
Rot. Bonds4

About 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide

4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106629289) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106629289
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H23ClN2O/c1-3-19(11-13-5-4-8-18-10-13)16(20)14-6-7-15(17)12(2)9-14/h6-7,9,13,18H,3-5,8,10-11H2,1-2H3
InChIKeyXCESSXOZZINMEX-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 106629522
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
N-ethyl-2-hydroxy-6-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 106629345
N-ethyl-2-methoxy-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629432
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 106629289) is 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide is CCN(CC1CCCNC1)C(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is XCESSXOZZINMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-19(11-13-5-4-8-18-10-13)16(20)14-6-7-15(17)12(2)9-14/h6-7,9,13,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106629289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).