N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide

C20H22ClN3O2 — CID 119422864

IUPACN-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
SMILESNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-16-7-5-15(6-8-16)19(25)23-18-4-2-1-3-17(18)20(26)24-11-9-14(13-22)10-12-24/h1-8,14H,9-13,22H2,(H,23,25)
InChIKeyWIZMMCGLBHXCDO-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.40
Rot. Bonds4

About N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide

N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide (PubChem CID 119422864) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
PubChem CID119422864
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
SMILESNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-16-7-5-15(6-8-16)19(25)23-18-4-2-1-3-17(18)20(26)24-11-9-14(13-22)10-12-24/h1-8,14H,9-13,22H2,(H,23,25)
InChIKeyWIZMMCGLBHXCDO-UHFFFAOYSA-N
XLogP3.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119576131
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
[4-(aminomethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride
CID 166451635
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119423120
4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide (CID 119422864) is N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide is NCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide?
The InChIKey is WIZMMCGLBHXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-7-5-15(6-8-16)19(25)23-18-4-2-1-3-17(18)20(26)24-11-9-14(13-22)10-12-24/h1-8,14H,9-13,22H2,(H,23,25).
What are the key properties of N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide?
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide has a molecular weight of 371.87 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 119422864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).