methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate

C21H31N3O3 — CID 42842519

IUPACmethyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C(=O)NC(C)c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-16(17-8-4-3-5-9-17)22-20(25)19(18-10-6-7-11-18)23-12-14-24(15-13-23)21(26)27-2/h3-5,8-9,16,18-19H,6-7,10-15H2,1-2H3,(H,22,25)
InChIKeyIAOSVINOZJBUTC-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.81
Rot. Bonds5

About methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate

methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate (PubChem CID 42842519) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate
PubChem CID42842519
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Namemethyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(C(=O)NC(C)c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-16(17-8-4-3-5-9-17)22-20(25)19(18-10-6-7-11-18)23-12-14-24(15-13-23)21(26)27-2/h3-5,8-9,16,18-19H,6-7,10-15H2,1-2H3,(H,22,25)
InChIKeyIAOSVINOZJBUTC-UHFFFAOYSA-N
XLogP2.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 42842520
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide
CID 42842510
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221209
methyl 4-[2-(1,3-benzodioxol-5-ylamino)-1-cyclopentyl-2-oxoethyl]piperazine-1-carboxylate
CID 46153431
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
methyl 4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 42842351

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate (CID 42842519) is methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(C(=O)NC(C)c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is IAOSVINOZJBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16(17-8-4-3-5-9-17)22-20(25)19(18-10-6-7-11-18)23-12-14-24(15-13-23)21(26)27-2/h3-5,8-9,16,18-19H,6-7,10-15H2,1-2H3,(H,22,25).
What are the key properties of methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate?
methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 42842519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).