3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 61189432

IUPAC3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCN(C(=O)N1CCN(CCC(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-16(13-5-3-2-4-6-13)15(21)18-11-9-17(10-12-18)8-7-14(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyTWQUDPVIIXDJAL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.46
Rot. Bonds4

About 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid

3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 61189432) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID61189432
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCN(C(=O)N1CCN(CCC(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-16(13-5-3-2-4-6-13)15(21)18-11-9-17(10-12-18)8-7-14(19)20/h13H,2-12H2,1H3,(H,19,20)
InChIKeyTWQUDPVIIXDJAL-UHFFFAOYSA-N
XLogP1.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 82730720
2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309502
3-[4-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 61192445
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61428532
3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 115560854
3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 61196920
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944

Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 61189432) is 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is CN(C(=O)N1CCN(CCC(=O)O)CC1)C1CCCCC1.
What is the InChIKey of 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is TWQUDPVIIXDJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(13-5-3-2-4-6-13)15(21)18-11-9-17(10-12-18)8-7-14(19)20/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid?
3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61189432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).