1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

C13H22N2O3 — CID 62095589

IUPAC1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-7-15-8-3-10(4-9-15)14-11(16)13(5-6-13)12(17)18/h10H,2-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyVCXRKZVKVYBTFC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds5

About 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095589) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095589
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-2-7-15-8-3-10(4-9-15)14-11(16)13(5-6-13)12(17)18/h10H,2-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyVCXRKZVKVYBTFC-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60940397
1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61476262
1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55035364
1-cyano-3-methyl-N-(1-propylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80502317
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
3-[(1-methylpiperidin-4-yl)carbamoyl]oxetane-3-carboxylic acid
CID 115184923
2-[(1-propylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 17376897
4-methyl-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721477
5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687897
2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
CID 62710878

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095589) is 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is CCCN1CCC(NC(=O)C2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VCXRKZVKVYBTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-7-15-8-3-10(4-9-15)14-11(16)13(5-6-13)12(17)18/h10H,2-9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).