N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

C16H24ClN3O — CID 81370303

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)N1CCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-12(13-5-4-6-14(17)11-13)19-15(21)16(2,3)20-9-7-18-8-10-20/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyCQILZKOALCRKST-LBPRGKRZSA-N
MW309.84 g/mol
LogP2.20
Rot. Bonds4

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 81370303) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID81370303
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)N1CCNCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-12(13-5-4-6-14(17)11-13)19-15(21)16(2,3)20-9-7-18-8-10-20/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyCQILZKOALCRKST-LBPRGKRZSA-N
XLogP2.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 81367887
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 61266625
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81352101
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
2-(3-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 119401955
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
N-[1-(3-chlorophenyl)ethyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 43024562

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (CID 81370303) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is C[C@H](NC(=O)C(C)(C)N1CCNCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is CQILZKOALCRKST-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12(13-5-4-6-14(17)11-13)19-15(21)16(2,3)20-9-7-18-8-10-20/h4-6,11-12,18H,7-10H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 81370303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).