(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide

C22H30ClN3O2 — CID 93221645

IUPAC(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-8-10-19(11-9-18)24-21(27)20(16-4-1-2-5-16)25-12-14-26(15-13-25)22(28)17-6-3-7-17/h8-11,16-17,20H,1-7,12-15H2,(H,24,27)/t20-/m1/s1
InChIKeyQDTPWEIGDKLBNZ-HXUWFJFHSA-N
MW403.95 g/mol
LogP3.78
Rot. Bonds5

About (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide

(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide (PubChem CID 93221645) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
PubChem CID93221645
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-8-10-19(11-9-18)24-21(27)20(16-4-1-2-5-16)25-12-14-26(15-13-25)22(28)17-6-3-7-17/h8-11,16-17,20H,1-7,12-15H2,(H,24,27)/t20-/m1/s1
InChIKeyQDTPWEIGDKLBNZ-HXUWFJFHSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
(2R)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222037
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-methylacetamide
CID 24719259
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 93222056
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93222108
N-(1,3-benzodioxol-5-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 46027619
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-propan-2-ylacetamide
CID 42842473
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide (CID 93221645) is (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide is O=C(Nc1ccc(Cl)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
The InChIKey is QDTPWEIGDKLBNZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c23-18-8-10-19(11-9-18)24-21(27)20(16-4-1-2-5-16)25-12-14-26(15-13-25)22(28)17-6-3-7-17/h8-11,16-17,20H,1-7,12-15H2,(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide?
(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide has a molecular weight of 403.95 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 93221645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).