(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide

C16H26N2O3 — CID 97274269

IUPAC(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@@H](C(=O)NCC2=CCCCC2)C1
InChIInChI=1S/C16H26N2O3/c1-21-12-15(19)18-9-5-8-14(11-18)16(20)17-10-13-6-3-2-4-7-13/h6,14H,2-5,7-12H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyYGPYQDCJWFEUOR-CQSZACIVSA-N
MW294.39 g/mol
LogP1.49
Rot. Bonds5

About (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide

(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 97274269) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID97274269
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@@H](C(=O)NCC2=CCCCC2)C1
InChIInChI=1S/C16H26N2O3/c1-21-12-15(19)18-9-5-8-14(11-18)16(20)17-10-13-6-3-2-4-7-13/h6,14H,2-5,7-12H2,1H3,(H,17,20)/t14-/m1/s1
InChIKeyYGPYQDCJWFEUOR-CQSZACIVSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
CID 100542242
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72924717
N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72862388
tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 31327704
(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81126342
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 177213594
N-(cyclohexen-1-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 133239605
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72904031
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082712
(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 97124896

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 97274269) is (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CCC[C@@H](C(=O)NCC2=CCCCC2)C1.
What is the InChIKey of (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is YGPYQDCJWFEUOR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-21-12-15(19)18-9-5-8-14(11-18)16(20)17-10-13-6-3-2-4-7-13/h6,14H,2-5,7-12H2,1H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 97274269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).