1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C17H30N2O2 — CID 3152668

IUPAC1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-21-13-5-10-18-17(20)16-8-11-19(12-9-16)14-15-6-3-2-4-7-15/h2-3,15-16H,4-14H2,1H3,(H,18,20)
InChIKeyHJNYELXOFPXSKF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.21
Rot. Bonds7

About 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 3152668) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID3152668
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-21-13-5-10-18-17(20)16-8-11-19(12-9-16)14-15-6-3-2-4-7-15/h2-3,15-16H,4-14H2,1H3,(H,18,20)
InChIKeyHJNYELXOFPXSKF-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohex-3-enylmethyl-piperidine-4-carboxylic acid diethylamide
CID 645987
(4aS,8R,8aS)-N,2-dibutyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 25011506
Cambridge id 6578224
CID 2903407
N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 7317644
1-acetyl-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-4-carboxamide
CID 6467776
3-[1-(3-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 45235465
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 51123161
N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
CID 56748456
Methyl 4-((cyclohex-3-enecarboxamido)methyl)piperidine-1-carboxylate
CID 71786829
N-(4-morpholinobut-2-yn-1-yl)cyclohex-3-enecarboxamide
CID 71792715
N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide
CID 21266146
N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide
CID 59932373

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 3152668) is 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is HJNYELXOFPXSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-21-13-5-10-18-17(20)16-8-11-19(12-9-16)14-15-6-3-2-4-7-15/h2-3,15-16H,4-14H2,1H3,(H,18,20).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3152668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).