N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide

C14H20ClN3O — CID 107626960

IUPACN-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1ccc(Cl)c(NC(=O)C(C)N2CCNCC2)c1
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-12(15)13(9-10)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyGUVUOLGEUGTRSI-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.88
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide

N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide (PubChem CID 107626960) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide
PubChem CID107626960
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1ccc(Cl)c(NC(=O)C(C)N2CCNCC2)c1
InChIInChI=1S/C14H20ClN3O/c1-10-3-4-12(15)13(9-10)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyGUVUOLGEUGTRSI-UHFFFAOYSA-N
XLogP1.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
CID 103480528
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
1-(2-chloro-5-methylphenyl)-3-[(3S)-piperidin-3-yl]urea
CID 128753184
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide (CID 107626960) is N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide is Cc1ccc(Cl)c(NC(=O)C(C)N2CCNCC2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is GUVUOLGEUGTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-3-4-12(15)13(9-10)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide?
N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 281.79 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 107626960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).