(1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate

C14H19N2O4- — CID 6969863

IUPAC(1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1
InChIInChI=1S/C14H20N2O4/c15-12(17)9-5-7-16(8-6-9)13(18)10-3-1-2-4-11(10)14(19)20/h1-2,9-11H,3-8H2,(H2,15,17)(H,19,20)/p-1/t10-,11+/m1/s1
InChIKeyWNVISWNODRFHSP-MNOVXSKESA-M
MW279.32 g/mol
LogP-0.96
Rot. Bonds3

About (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate

(1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate (PubChem CID 6969863) has the molecular formula C14H19N2O4- and a molecular weight of 279.32 g/mol. Its IUPAC name is (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name(1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate
PubChem CID6969863
Molecular FormulaC14H19N2O4-
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name(1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1
InChIInChI=1S/C14H20N2O4/c15-12(17)9-5-7-16(8-6-9)13(18)10-3-1-2-4-11(10)14(19)20/h1-2,9-11H,3-8H2,(H2,15,17)(H,19,20)/p-1/t10-,11+/m1/s1
InChIKeyWNVISWNODRFHSP-MNOVXSKESA-M
XLogP-0.96
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-6-(4-methylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate
CID 7333962
6-(4-methylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate
CID 4744066
(1S,6R)-6-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate
CID 6957686
(1S,2R,3S,4R)-3-(4-carbamoylpiperidine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11888473
6-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate
CID 4739648
sodium;cyclohex-4-ene-1,2-dicarboxylate;hydron
CID 70591363
1-(5-amino-2-methylcyclohexanecarbonyl)piperidine-4-carboxamide
CID 62777378
6-(3-aminopyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 62068915
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
(1S,6R)-6-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962511
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate (CID 6969863) is (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate is NC(=O)C1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1.
What is the InChIKey of (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is WNVISWNODRFHSP-MNOVXSKESA-M. The full InChI is InChI=1S/C14H20N2O4/c15-12(17)9-5-7-16(8-6-9)13(18)10-3-1-2-4-11(10)14(19)20/h1-2,9-11H,3-8H2,(H2,15,17)(H,19,20)/p-1/t10-,11+/m1/s1.
What are the key properties of (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate?
(1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 279.32 g/mol, XLogP of -0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-(4-carbamoylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 6969863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).