3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide

C16H23ClN2O — CID 107098424

IUPAC3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O/c1-3-19(11-13-6-5-9-18-10-13)16(20)14-7-4-8-15(17)12(14)2/h4,7-8,13,18H,3,5-6,9-11H2,1-2H3
InChIKeyLDUYPTOZRGNRSO-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.11
Rot. Bonds4

About 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide

3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 107098424) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID107098424
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O/c1-3-19(11-13-6-5-9-18-10-13)16(20)14-7-4-8-15(17)12(14)2/h4,7-8,13,18H,3,5-6,9-11H2,1-2H3
InChIKeyLDUYPTOZRGNRSO-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-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
N-ethyl-2-methoxy-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629432
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893490
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 107098424) is 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide is CCN(CC1CCCNC1)C(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is LDUYPTOZRGNRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-19(11-13-6-5-9-18-10-13)16(20)14-7-4-8-15(17)12(14)2/h4,7-8,13,18H,3,5-6,9-11H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide?
3-chloro-N-ethyl-2-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 3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 107098424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).