N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide

C15H23N3O — CID 43130569

IUPACN-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1cccc(NC(=O)C(C)N2CCNCC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)17-15(19)13(3)18-9-7-16-8-10-18/h4-6,13,16H,7-10H2,1-3H3,(H,17,19)
InChIKeyHRNZUWVSUNXFCY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.54
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide

N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide (PubChem CID 43130569) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
PubChem CID43130569
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1cccc(NC(=O)C(C)N2CCNCC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)17-15(19)13(3)18-9-7-16-8-10-18/h4-6,13,16H,7-10H2,1-3H3,(H,17,19)
InChIKeyHRNZUWVSUNXFCY-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43130627
N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
CID 103480528
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210
N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide
CID 107626960
N-(3-amino-2-methylphenyl)-2-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63002831
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435301
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
CID 82820113
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide (CID 43130569) is N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide is Cc1cccc(NC(=O)C(C)N2CCNCC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is HRNZUWVSUNXFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-4-6-14(12(11)2)17-15(19)13(3)18-9-7-16-8-10-18/h4-6,13,16H,7-10H2,1-3H3,(H,17,19).
What are the key properties of N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide?
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43130569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).