N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride

C17H25Cl2N3O2 — CID 119469857

IUPACN-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC2CN)c1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(2)16(22)20-12-6-7-15(18)14(9-12)17(23)21-8-4-3-5-13(21)10-19;/h6-7,9,11,13H,3-5,8,10,19H2,1-2H3,(H,20,22);1H
InChIKeyKXQVUXULTZIJIR-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.31
Rot. Bonds4

About N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride

N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119469857) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride
PubChem CID119469857
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC2CN)c1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-11(2)16(22)20-12-6-7-15(18)14(9-12)17(23)21-8-4-3-5-13(21)10-19;/h6-7,9,11,13H,3-5,8,10,19H2,1-2H3,(H,20,22);1H
InChIKeyKXQVUXULTZIJIR-UHFFFAOYSA-N
XLogP3.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 119468615
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119376973
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide
CID 119376974
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119631292
N-(2-aminoethyl)-1-[2-chloro-5-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119482456
N-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-chlorophenyl]-3-methylbutanamide;hydrochloride
CID 119435206
[2-(aminomethyl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone;hydrochloride
CID 119466333
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
CID 119413561
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride (CID 119469857) is N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC2CN)c1.Cl.
What is the InChIKey of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is KXQVUXULTZIJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-11(2)16(22)20-12-6-7-15(18)14(9-12)17(23)21-8-4-3-5-13(21)10-19;/h6-7,9,11,13H,3-5,8,10,19H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride?
N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119469857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).