methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate

C14H25N3O3 — CID 78973033

IUPACmethyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-20-13(18)6-7-16-8-10-17(11-9-16)14(19)15-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,15,19)
InChIKeyNJUMEAKGJNQLAU-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.82
Rot. Bonds4

About methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate

methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate (PubChem CID 78973033) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
PubChem CID78973033
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-20-13(18)6-7-16-8-10-17(11-9-16)14(19)15-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,15,19)
InChIKeyNJUMEAKGJNQLAU-UHFFFAOYSA-N
XLogP0.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(oxolan-3-ylcarbamoyl)piperazin-1-yl]propanoate
CID 115536102
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106139
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950
N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 116658505
methyl 3-(4-tricyclopentylsilylpiperazin-1-yl)propanoate
CID 140660834
4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 43252425

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate (CID 78973033) is methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate?
The InChIKey is NJUMEAKGJNQLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-20-13(18)6-7-16-8-10-17(11-9-16)14(19)15-12-4-2-3-5-12/h12H,2-11H2,1H3,(H,15,19).
What are the key properties of methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate?
methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate has a molecular weight of 283.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 78973033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).