2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide

C19H28ClN3O — CID 4995551

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O/c1-2-22-11-13-23(14-12-22)18(15-7-9-16(20)10-8-15)19(24)21-17-5-3-4-6-17/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,24)
InChIKeyJOZRJGRRCAZKBP-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide

2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 4995551) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID4995551
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O/c1-2-22-11-13-23(14-12-22)18(15-7-9-16(20)10-8-15)19(24)21-17-5-3-4-6-17/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,24)
InChIKeyJOZRJGRRCAZKBP-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide (CID 4995551) is 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is JOZRJGRRCAZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-2-22-11-13-23(14-12-22)18(15-7-9-16(20)10-8-15)19(24)21-17-5-3-4-6-17/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide?
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 349.91 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4995551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).