3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 43522437

IUPAC3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c19-14(16-13-4-2-1-3-5-13)12-18-10-8-17(9-11-18)7-6-15(20)21/h13H,1-12H2,(H,16,19)(H,20,21)
InChIKeyPZDVETCMORJICI-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.53
Rot. Bonds6

About 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid

3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid (PubChem CID 43522437) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
PubChem CID43522437
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c19-14(16-13-4-2-1-3-5-13)12-18-10-8-17(9-11-18)7-6-15(20)21/h13H,1-12H2,(H,16,19)(H,20,21)
InChIKeyPZDVETCMORJICI-UHFFFAOYSA-N
XLogP0.53
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61194091
2-[4-[3-(cyclopropylamino)-3-oxopropyl]piperazin-1-yl]acetic acid
CID 62626328
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
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3-(azepan-1-yl)-N-cyclohexylpropanamide
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N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
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3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
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4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid (CID 43522437) is 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
The InChIKey is PZDVETCMORJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c19-14(16-13-4-2-1-3-5-13)12-18-10-8-17(9-11-18)7-6-15(20)21/h13H,1-12H2,(H,16,19)(H,20,21).
What are the key properties of 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).