1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 80547816

IUPAC1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C(=O)NC1(C(=O)O)CCCCC1)N1CCNCC1
InChIInChI=1S/C15H27N3O3/c1-14(2,18-10-8-16-9-11-18)12(19)17-15(13(20)21)6-4-3-5-7-15/h16H,3-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXRISOQPJFCZXTH-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.57
Rot. Bonds4

About 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid

1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 80547816) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID80547816
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C(=O)NC1(C(=O)O)CCCCC1)N1CCNCC1
InChIInChI=1S/C15H27N3O3/c1-14(2,18-10-8-16-9-11-18)12(19)17-15(13(20)21)6-4-3-5-7-15/h16H,3-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXRISOQPJFCZXTH-UHFFFAOYSA-N
XLogP0.57
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid (CID 80547816) is 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)(C(=O)NC1(C(=O)O)CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XRISOQPJFCZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(2,18-10-8-16-9-11-18)12(19)17-15(13(20)21)6-4-3-5-7-15/h16H,3-11H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 80547816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).