4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide

C14H19ClN2O — CID 21230989

IUPAC4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCCCN1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-11-4-2-3-9-17(11)10-16-14(18)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyZKPVVYNMJJLDBG-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.90
Rot. Bonds3

About 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide

4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 21230989) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
PubChem CID21230989
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCCCN1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-11-4-2-3-9-17(11)10-16-14(18)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyZKPVVYNMJJLDBG-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92767994
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
CID 8549897
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 32858382
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide (CID 21230989) is 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide is CC1CCCCN1CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is ZKPVVYNMJJLDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11-4-2-3-9-17(11)10-16-14(18)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide?
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 21230989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).