4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide

C21H24ClN3O2 — CID 119394700

IUPAC4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCNCC1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24ClN3O2/c1-23-13-15-5-4-12-25(14-15)21(27)18-6-2-3-7-19(18)24-20(26)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,24,26)
InChIKeyJRKIDBUGPCWFSP-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide

4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide (PubChem CID 119394700) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
PubChem CID119394700
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
SMILESCNCC1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H24ClN3O2/c1-23-13-15-5-4-12-25(14-15)21(27)18-6-2-3-7-19(18)24-20(26)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,24,26)
InChIKeyJRKIDBUGPCWFSP-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119398279
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
CID 119422864
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119576131
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide (CID 119394700) is 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide is CNCC1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
The InChIKey is JRKIDBUGPCWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-23-13-15-5-4-12-25(14-15)21(27)18-6-2-3-7-19(18)24-20(26)16-8-10-17(22)11-9-16/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,24,26).
What are the key properties of 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide?
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide has a molecular weight of 385.90 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 119394700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).