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

C16H26N2O3 — CID 61403429

IUPAC6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCCN(C(=O)C1CC=CCC1C(=O)O)C1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-2-11-18(12-7-9-17-10-8-12)15(19)13-5-3-4-6-14(13)16(20)21/h3-4,12-14,17H,2,5-11H2,1H3,(H,20,21)
InChIKeyITQYCQZPGKOYBO-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.64
Rot. Bonds5

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

6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 61403429) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID61403429
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCCN(C(=O)C1CC=CCC1C(=O)O)C1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-2-11-18(12-7-9-17-10-8-12)15(19)13-5-3-4-6-14(13)16(20)21/h3-4,12-14,17H,2,5-11H2,1H3,(H,20,21)
InChIKeyITQYCQZPGKOYBO-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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Related Compounds

2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
CID 60805911
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
2-phenyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 81494194
(1S,6R)-6-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962165
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
2-[ethyl(piperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113361053
(1S,6R)-6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7030737
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
6-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60950323
(1S,6R)-6-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962226
2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119824177

Frequently Asked Questions

What is the IUPAC name of 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 61403429) is 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CCCN(C(=O)C1CC=CCC1C(=O)O)C1CCNCC1.
What is the InChIKey of 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ITQYCQZPGKOYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-11-18(12-7-9-17-10-8-12)15(19)13-5-3-4-6-14(13)16(20)21/h3-4,12-14,17H,2,5-11H2,1H3,(H,20,21).
What are the key properties of 6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[piperidin-4-yl(propyl)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-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 61403429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).