4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C14H22N2O3 — CID 79215982

IUPAC4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1CCCN(C(=O)NC2C=CC(C(=O)O)C2)C1C
InChIInChI=1S/C14H22N2O3/c1-9-4-3-7-16(10(9)2)14(19)15-12-6-5-11(8-12)13(17)18/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHHPZGCFQOGUSBY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.85
Rot. Bonds2

About 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79215982) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79215982
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC1CCCN(C(=O)NC2C=CC(C(=O)O)C2)C1C
InChIInChI=1S/C14H22N2O3/c1-9-4-3-7-16(10(9)2)14(19)15-12-6-5-11(8-12)13(17)18/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHHPZGCFQOGUSBY-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428
4-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191673
4-[(4-methylazepane-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216790
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102961866
4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216190
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216909
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215858
4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216843
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79215982) is 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is CC1CCCN(C(=O)NC2C=CC(C(=O)O)C2)C1C.
What is the InChIKey of 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is HHPZGCFQOGUSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-4-3-7-16(10(9)2)14(19)15-12-6-5-11(8-12)13(17)18/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79215982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).