1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C18H30N2O2 — CID 807216

IUPAC1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C18H30N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-2,15-17H,3-14H2,(H,19,21)/t15-,17+/m1/s1
InChIKeyZBOIXGYNLAYVOG-WBVHZDCISA-N
MW306.45 g/mol
LogP2.35
Rot. Bonds5

About 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 807216) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID807216
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C18H30N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-2,15-17H,3-14H2,(H,19,21)/t15-,17+/m1/s1
InChIKeyZBOIXGYNLAYVOG-WBVHZDCISA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

Cambridge id 6578224
CID 2903407
3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45175424
3-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45196217
3-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45223678
(Z)-1-(2,6-dimethylmorpholin-4-yl)-2-[2-[[1-hydroxy-5-(methylamino)pentyl]amino]ethyl]pent-3-en-1-one
CID 70892606
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807218
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807220
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807222
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide
CID 2187003
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 2187004
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidin-1-ium-4-carboxamide
CID 2187005
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 2187006

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 807216) is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@@H]1CCCO1)C1CCN(C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ZBOIXGYNLAYVOG-WBVHZDCISA-N. The full InChI is InChI=1S/C18H30N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-2,15-17H,3-14H2,(H,19,21)/t15-,17+/m1/s1.
What are the key properties of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 807216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).