2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide

C15H22ClN3O2 — CID 62048123

IUPAC2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c1-12(21-14-4-2-3-13(16)11-14)15(20)18-7-10-19-8-5-17-6-9-19/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)
InChIKeyPGYXOWPQCMAMQG-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.13
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide

2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 62048123) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID62048123
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c1-12(21-14-4-2-3-13(16)11-14)15(20)18-7-10-19-8-5-17-6-9-19/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)
InChIKeyPGYXOWPQCMAMQG-UHFFFAOYSA-N
XLogP1.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
2-(3-chlorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813833
2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391090
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448453
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604391
2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide (CID 62048123) is 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is PGYXOWPQCMAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-12(21-14-4-2-3-13(16)11-14)15(20)18-7-10-19-8-5-17-6-9-19/h2-4,11-12,17H,5-10H2,1H3,(H,18,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide?
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 62048123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).