4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide

C23H34N4O2 — CID 93221329

IUPAC4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN([C@@H](C(=O)NCc2cccc(C)c2)C2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c1-3-11-24-23(29)27-14-12-26(13-15-27)21(20-9-4-5-10-20)22(28)25-17-19-8-6-7-18(2)16-19/h3,6-8,16,20-21H,1,4-5,9-15,17H2,2H3,(H,24,29)(H,25,28)/t21-/m1/s1
InChIKeyGAWOHRBNFXDVKP-OAQYLSRUSA-N
MW398.55 g/mol
LogP2.68
Rot. Bonds7

About 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide

4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 93221329) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID93221329
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN([C@@H](C(=O)NCc2cccc(C)c2)C2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c1-3-11-24-23(29)27-14-12-26(13-15-27)21(20-9-4-5-10-20)22(28)25-17-19-8-6-7-18(2)16-19/h3,6-8,16,20-21H,1,4-5,9-15,17H2,2H3,(H,24,29)(H,25,28)/t21-/m1/s1
InChIKeyGAWOHRBNFXDVKP-OAQYLSRUSA-N
XLogP2.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 93210379
4-[(1S)-1-cyclopentyl-2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221335
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378
(2S)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210398
(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 93210382
4-[2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027309
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 46027291
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 93210191
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 24716536

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide (CID 93221329) is 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN([C@@H](C(=O)NCc2cccc(C)c2)C2CCCC2)CC1.
What is the InChIKey of 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is GAWOHRBNFXDVKP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-3-11-24-23(29)27-14-12-26(13-15-27)21(20-9-4-5-10-20)22(28)25-17-19-8-6-7-18(2)16-19/h3,6-8,16,20-21H,1,4-5,9-15,17H2,2H3,(H,24,29)(H,25,28)/t21-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide?
4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopentyl-2-[(3-methylphenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 93221329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).