6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C16H26N2O3 — CID 6470296

IUPAC6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2CC=CCC2C(=O)O)CC1
InChIInChI=1S/C16H26N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h3-4,12-14H,2,5-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyZNMRQHDNTSWWQS-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.64
Rot. Bonds5

About 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 6470296) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID6470296
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCCN1CCC(NC(=O)C2CC=CCC2C(=O)O)CC1
InChIInChI=1S/C16H26N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h3-4,12-14H,2,5-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyZNMRQHDNTSWWQS-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 6470296) is 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CCCN1CCC(NC(=O)C2CC=CCC2C(=O)O)CC1.
What is the InChIKey of 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ZNMRQHDNTSWWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h3-4,12-14H,2,5-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 6470296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).