4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C15H25N3O3 — CID 79191668

IUPAC4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(CNC(=O)NC1C=CC(C(=O)O)C1)N1CCCCC1
InChIInChI=1S/C15H25N3O3/c1-11(18-7-3-2-4-8-18)10-16-15(21)17-13-6-5-12(9-13)14(19)20/h5-6,11-13H,2-4,7-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNBFHLYRVHBWZGY-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.19
Rot. Bonds5

About 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79191668) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79191668
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC(CNC(=O)NC1C=CC(C(=O)O)C1)N1CCCCC1
InChIInChI=1S/C15H25N3O3/c1-11(18-7-3-2-4-8-18)10-16-15(21)17-13-6-5-12(9-13)14(19)20/h5-6,11-13H,2-4,7-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyNBFHLYRVHBWZGY-UHFFFAOYSA-N
XLogP1.19
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319901
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
2-pyrrolidin-1-ylpropylurea
CID 112728366
(2R,4R)-4-hydroxy-1-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000489
3-methoxy-4-(2-piperidin-1-ylpropylcarbamoylamino)butanoic acid
CID 103159150
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
4-[(4-amino-2-methylbutanoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 80545224
4-(1-methylsulfanylbutan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 113495082

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79191668) is 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is CC(CNC(=O)NC1C=CC(C(=O)O)C1)N1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is NBFHLYRVHBWZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(18-7-3-2-4-8-18)10-16-15(21)17-13-6-5-12(9-13)14(19)20/h5-6,11-13H,2-4,7-10H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79191668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).