4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H25N3O3 — CID 61443231

IUPAC4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)11-1-3-12(4-2-11)16-15(21)18-9-7-17(8-10-18)13-5-6-13/h11-13H,1-10H2,(H,16,21)(H,19,20)
InChIKeyJWKVAPOJIDBDNP-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.12
Rot. Bonds3

About 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61443231) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61443231
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)11-1-3-12(4-2-11)16-15(21)18-9-7-17(8-10-18)13-5-6-13/h11-13H,1-10H2,(H,16,21)(H,19,20)
InChIKeyJWKVAPOJIDBDNP-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
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-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61443231) is 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1.
What is the InChIKey of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JWKVAPOJIDBDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)11-1-3-12(4-2-11)16-15(21)18-9-7-17(8-10-18)13-5-6-13/h11-13H,1-10H2,(H,16,21)(H,19,20).
What are the key properties of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61443231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).