4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide

C19H27N3O2 — CID 23819080

IUPAC4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(17-8-4-5-9-17)21-12-14-22(15-13-21)19(24)20-11-10-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,20,24)
InChIKeyNWYYLRMOKJIDMZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.27
Rot. Bonds4

About 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide

4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 23819080) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID23819080
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(17-8-4-5-9-17)21-12-14-22(15-13-21)19(24)20-11-10-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,20,24)
InChIKeyNWYYLRMOKJIDMZ-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
CID 111811866
2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834922
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
CID 55634615
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95601653

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide (CID 23819080) is 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide is O=C(NCCc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is NWYYLRMOKJIDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(17-8-4-5-9-17)21-12-14-22(15-13-21)19(24)20-11-10-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,20,24).
What are the key properties of 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 23819080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).