2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide

C21H28ClN3O2 — CID 39279831

IUPAC2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1)NC1CC1
InChIInChI=1S/C21H28ClN3O2/c22-17-5-3-4-16(14-17)21(8-1-2-9-21)20(27)25-12-10-24(11-13-25)15-19(26)23-18-6-7-18/h3-5,14,18H,1-2,6-13,15H2,(H,23,26)
InChIKeyNCBUBDNFXJKVPX-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 39279831) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID39279831
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1)NC1CC1
InChIInChI=1S/C21H28ClN3O2/c22-17-5-3-4-16(14-17)21(8-1-2-9-21)20(27)25-12-10-24(11-13-25)15-19(26)23-18-6-7-18/h3-5,14,18H,1-2,6-13,15H2,(H,23,26)
InChIKeyNCBUBDNFXJKVPX-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-chlorophenyl)cyclohexanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134047573
2-[4-[1-(3-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47020973
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
tert-butyl 4-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]piperidine-1-carboxylate
CID 52731080
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426573
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 39279831) is 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1)NC1CC1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is NCBUBDNFXJKVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c22-17-5-3-4-16(14-17)21(8-1-2-9-21)20(27)25-12-10-24(11-13-25)15-19(26)23-18-6-7-18/h3-5,14,18H,1-2,6-13,15H2,(H,23,26).
What are the key properties of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 389.93 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 39279831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).