2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide

C17H27N3O — CID 81367887

IUPAC2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCc1cccc([C@@H](C)NC(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-13-6-5-7-15(12-13)14(2)19-16(21)17(3,4)20-10-8-18-9-11-20/h5-7,12,14,18H,8-11H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyPAQZKNYXYDMOHI-CQSZACIVSA-N
MW289.42 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide

2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 81367887) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID81367887
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCc1cccc([C@@H](C)NC(=O)C(C)(C)N2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-13-6-5-7-15(12-13)14(2)19-16(21)17(3,4)20-10-8-18-9-11-20/h5-7,12,14,18H,8-11H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyPAQZKNYXYDMOHI-CQSZACIVSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81370303
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81352101
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80547961
3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360770
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
CID 82510307
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(1-phenylethyl)propanamide
CID 108962129
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide (CID 81367887) is 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide is Cc1cccc([C@@H](C)NC(=O)C(C)(C)N2CCNCC2)c1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is PAQZKNYXYDMOHI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-6-5-7-15(12-13)14(2)19-16(21)17(3,4)20-10-8-18-9-11-20/h5-7,12,14,18H,8-11H2,1-4H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide?
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 81367887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).