2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 62309502

IUPAC2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(14(19)20)17-8-10-18(11-9-17)15(21)16(2)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyLYCZEOISOWIXIT-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.46
Rot. Bonds3

About 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62309502) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62309502
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(14(19)20)17-8-10-18(11-9-17)15(21)16(2)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyLYCZEOISOWIXIT-UHFFFAOYSA-N
XLogP1.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61189432
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311309
2-[4-[2-hydroxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309701
2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
N-methyl-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 115578678
2-[4-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 104552966
3-[cycloheptyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897396
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
N-methyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 115668205
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid
CID 83147517

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 62309502) is 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is LYCZEOISOWIXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(14(19)20)17-8-10-18(11-9-17)15(21)16(2)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62309502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).