(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C22H26ClN3O3 — CID 93156034

IUPAC(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H26ClN3O3/c23-17-9-7-16(8-10-17)20(21(27)24-18-4-1-2-5-18)25-11-13-26(14-12-25)22(28)19-6-3-15-29-19/h3,6-10,15,18,20H,1-2,4-5,11-14H2,(H,24,27)/t20-/m1/s1
InChIKeyRNDLXJQTISHHMP-HXUWFJFHSA-N
MW415.92 g/mol
LogP3.49
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 93156034) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID93156034
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H26ClN3O3/c23-17-9-7-16(8-10-17)20(21(27)24-18-4-1-2-5-18)25-11-13-26(14-12-25)22(28)19-6-3-15-29-19/h3,6-10,15,18,20H,1-2,4-5,11-14H2,(H,24,27)/t20-/m1/s1
InChIKeyRNDLXJQTISHHMP-HXUWFJFHSA-N
XLogP3.49
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
CID 43063623
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
CID 92653700
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119153283
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 46027437
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea
CID 112994619

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 93156034) is (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is RNDLXJQTISHHMP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c23-17-9-7-16(8-10-17)20(21(27)24-18-4-1-2-5-18)25-11-13-26(14-12-25)22(28)19-6-3-15-29-19/h3,6-10,15,18,20H,1-2,4-5,11-14H2,(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 415.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93156034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).