3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C21H24ClN3O3 — CID 108741133

IUPAC3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCOc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-24-11-13-25(14-12-24)21(27)16-2-6-18(7-3-16)23-20(26)10-15-28-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyRMSPLQXHWBQWCD-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.14
Rot. Bonds6

About 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 108741133) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID108741133
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)CCOc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H24ClN3O3/c1-24-11-13-25(14-12-24)21(27)16-2-6-18(7-3-16)23-20(26)10-15-28-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyRMSPLQXHWBQWCD-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 108741099
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
2-chloroethyl N-[4-(4-methylpiperazine-1-carbonyl)phenyl]carbamate
CID 108741130
2-(4-chlorophenyl)sulfanyl-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 21170031
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 67912324
2-[4-[(4-chlorophenoxy)methyl]-1-(4-fluorobenzoyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110080101
3-[(4aR,7aR)-6-(4-ethoxybenzoyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-N-(4-chlorophenyl)propanamide
CID 163817348
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
CID 110352712
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108544802
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 108741133) is 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CN1CCN(C(=O)c2ccc(NC(=O)CCOc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is RMSPLQXHWBQWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-24-11-13-25(14-12-24)21(27)16-2-6-18(7-3-16)23-20(26)10-15-28-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 401.89 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 108741133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).