4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide

C23H34N4O2 — CID 46027240

IUPAC4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c1-2-13-25-23(29)27-17-15-26(16-18-27)21(20-10-6-7-11-20)22(28)24-14-12-19-8-4-3-5-9-19/h2-5,8-9,20-21H,1,6-7,10-18H2,(H,24,28)(H,25,29)
InChIKeyRQBZHGZOTMNNBS-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.42
Rot. Bonds8

About 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide

4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 46027240) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID46027240
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(C(C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c1-2-13-25-23(29)27-17-15-26(16-18-27)21(20-10-6-7-11-20)22(28)24-14-12-19-8-4-3-5-9-19/h2-5,8-9,20-21H,1,6-7,10-18H2,(H,24,28)(H,25,29)
InChIKeyRQBZHGZOTMNNBS-UHFFFAOYSA-N
XLogP2.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221329
4-[(1S)-1-cyclopentyl-2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221335
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
4-[2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027309
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 46027291
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 24716536

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide (CID 46027240) is 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(C(C(=O)NCCc2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is RQBZHGZOTMNNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-2-13-25-23(29)27-17-15-26(16-18-27)21(20-10-6-7-11-20)22(28)24-14-12-19-8-4-3-5-9-19/h2-5,8-9,20-21H,1,6-7,10-18H2,(H,24,28)(H,25,29).
What are the key properties of 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide?
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 46027240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).