N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide

C17H24ClN3O2 — CID 119437390

IUPACN-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C17H24ClN3O2/c1-11(19)15-5-3-4-10-21(15)17(23)12(2)20-16(22)13-6-8-14(18)9-7-13/h6-9,11-12,15H,3-5,10,19H2,1-2H3,(H,20,22)
InChIKeyQNJNAPYRMHRKLR-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.19
Rot. Bonds4

About N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide

N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide (PubChem CID 119437390) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide
PubChem CID119437390
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C17H24ClN3O2/c1-11(19)15-5-3-4-10-21(15)17(23)12(2)20-16(22)13-6-8-14(18)9-7-13/h6-9,11-12,15H,3-5,10,19H2,1-2H3,(H,20,22)
InChIKeyQNJNAPYRMHRKLR-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119634260
N-[(2R)-1-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569304
N-[(2R)-1-[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569307
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione
CID 119436666
1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114461
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
N-[3-[2-(1-aminoethyl)piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 119436675
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 136515348
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 126771770

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide (CID 119437390) is N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1C(C)N.
What is the InChIKey of N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide?
The InChIKey is QNJNAPYRMHRKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-11(19)15-5-3-4-10-21(15)17(23)12(2)20-16(22)13-6-8-14(18)9-7-13/h6-9,11-12,15H,3-5,10,19H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide?
N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide has a molecular weight of 337.85 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 119437390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).