4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid

C12H21N3O3 — CID 19391498

IUPAC4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H21N3O3/c16-11(17)9-1-3-10(4-2-9)14-12(18)15-7-5-13-6-8-15/h9-10,13H,1-8H2,(H,14,18)(H,16,17)
InChIKeyGDHMBQUHXYFKCY-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.24
Rot. Bonds2

About 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid

4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 19391498) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID19391498
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H21N3O3/c16-11(17)9-1-3-10(4-2-9)14-12(18)15-7-5-13-6-8-15/h9-10,13H,1-8H2,(H,14,18)(H,16,17)
InChIKeyGDHMBQUHXYFKCY-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81204653
4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122023871
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
4-[[4-(methoxymethyl)-4-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023688
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175

Frequently Asked Questions

What is the IUPAC name of 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid (CID 19391498) is 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCNCC2)CC1.
What is the InChIKey of 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GDHMBQUHXYFKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-11(17)9-1-3-10(4-2-9)14-12(18)15-7-5-13-6-8-15/h9-10,13H,1-8H2,(H,14,18)(H,16,17).
What are the key properties of 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid?
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19391498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).