2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide

C22H32ClN3O3 — CID 86944786

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)ccc1Cl
InChIInChI=1S/C22H32ClN3O3/c1-16-15-19(7-8-20(16)23)29-17(2)21(27)24-9-10-25-11-13-26(14-12-25)22(28)18-5-3-4-6-18/h7-8,15,17-18H,3-6,9-14H2,1-2H3,(H,24,27)
InChIKeyIADOEVZPBNRYCV-UHFFFAOYSA-N
MW421.97 g/mol
LogP2.87
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide (PubChem CID 86944786) has the molecular formula C22H32ClN3O3 and a molecular weight of 421.97 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide
PubChem CID86944786
Molecular FormulaC22H32ClN3O3
Molecular Weight421.97 g/mol
Exact Mass421.21
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)ccc1Cl
InChIInChI=1S/C22H32ClN3O3/c1-16-15-19(7-8-20(16)23)29-17(2)21(27)24-9-10-25-11-13-26(14-12-25)22(28)18-5-3-4-6-18/h7-8,15,17-18H,3-6,9-14H2,1-2H3,(H,24,27)
InChIKeyIADOEVZPBNRYCV-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide with MolForge

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-difluorophenoxy)propanamide
CID 86944832
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(2,3-dichlorophenyl)propanamide
CID 86944746
2-(4-chloro-3-methylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 132658438
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86944834
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 55792554
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
5-[2-(4-chloro-3-methylphenoxy)propanoylamino]pentanoic acid
CID 119235299

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide (CID 86944786) is 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide is Cc1cc(OC(C)C(=O)NCCN2CCN(C(=O)C3CCCC3)CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide?
The InChIKey is IADOEVZPBNRYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3/c1-16-15-19(7-8-20(16)23)29-17(2)21(27)24-9-10-25-11-13-26(14-12-25)22(28)18-5-3-4-6-18/h7-8,15,17-18H,3-6,9-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide has a molecular weight of 421.97 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 86944786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).