6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C16H26N2O3 — CID 60940827

IUPAC6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC(CN1CCCCC1)NC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-12(11-18-9-5-2-6-10-18)17-15(19)13-7-3-4-8-14(13)16(20)21/h3-4,12-14H,2,5-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBZRZOKOCICFGJC-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.64
Rot. Bonds5

About 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 60940827) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID60940827
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC(CN1CCCCC1)NC(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-12(11-18-9-5-2-6-10-18)17-15(19)13-7-3-4-8-14(13)16(20)21/h3-4,12-14H,2,5-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBZRZOKOCICFGJC-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

(1R,6S)-6-[[(2S)-butan-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 124745374
3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
(1S,6R)-6-(1-hydroxypropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962101
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
(1S,6R)-6-(1-methoxypropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104961987
(1S,6R)-6-(1-cyclopropylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962458
(1S,6R)-6-(2-piperidin-1-ylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962309
6-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81387090
(1S,6R)-6-(1-phenylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962407
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103247689
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 102779216
(1S,6R)-6-(1-cyclobutylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962744

Frequently Asked Questions

What is the IUPAC name of 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 60940827) is 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is CC(CN1CCCCC1)NC(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is BZRZOKOCICFGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(11-18-9-5-2-6-10-18)17-15(19)13-7-3-4-8-14(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-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)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-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 60940827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).