2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C16H25Cl2N3O2 — CID 119448453

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCc1ccc(Cl)c(OC(C)C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H24ClN3O2.ClH/c1-12-3-4-14(17)15(11-12)22-13(2)16(21)19-7-10-20-8-5-18-6-9-20;/h3-4,11,13,18H,5-10H2,1-2H3,(H,19,21);1H
InChIKeyDKKBIYSLQBGLDF-UHFFFAOYSA-N
MW362.30 g/mol
LogP1.86
Rot. Bonds6

About 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119448453) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119448453
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCc1ccc(Cl)c(OC(C)C(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H24ClN3O2.ClH/c1-12-3-4-14(17)15(11-12)22-13(2)16(21)19-7-10-20-8-5-18-6-9-20;/h3-4,11,13,18H,5-10H2,1-2H3,(H,19,21);1H
InChIKeyDKKBIYSLQBGLDF-UHFFFAOYSA-N
XLogP1.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119448453) is 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is Cc1ccc(Cl)c(OC(C)C(=O)NCCN2CCNCC2)c1.Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is DKKBIYSLQBGLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.ClH/c1-12-3-4-14(17)15(11-12)22-13(2)16(21)19-7-10-20-8-5-18-6-9-20;/h3-4,11,13,18H,5-10H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119448453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).