N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide

C19H32N2O3 — CID 96515474

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide
SMILESO=C(NC[C@H]1CC=CCC1)N1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C19H32N2O3/c22-19(20-14-16-6-2-1-3-7-16)21-11-9-17(10-12-21)24-15-18-8-4-5-13-23-18/h1-2,16-18H,3-15H2,(H,20,22)/t16-,18+/m0/s1
InChIKeyWWMINNRGTJIBHD-FUHWJXTLSA-N
MW336.48 g/mol
LogP3.10
Rot. Bonds5

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide (PubChem CID 96515474) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide
PubChem CID96515474
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide
SMILESO=C(NC[C@H]1CC=CCC1)N1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C19H32N2O3/c22-19(20-14-16-6-2-1-3-7-16)21-11-9-17(10-12-21)24-15-18-8-4-5-13-23-18/h1-2,16-18H,3-15H2,(H,20,22)/t16-,18+/m0/s1
InChIKeyWWMINNRGTJIBHD-FUHWJXTLSA-N
XLogP3.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide with MolForge

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Related Compounds

N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448407
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
N-(cyclohex-3-en-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 128950604
4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 126770005
N-(cyclohex-3-en-1-ylmethyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 146149857
2-[[(cyclohexylmethylamino)-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043430
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate
CID 124593338
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide (CID 96515474) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide is O=C(NC[C@H]1CC=CCC1)N1CCC(OC[C@H]2CCCCO2)CC1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
The InChIKey is WWMINNRGTJIBHD-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-19(20-14-16-6-2-1-3-7-16)21-11-9-17(10-12-21)24-15-18-8-4-5-13-23-18/h1-2,16-18H,3-15H2,(H,20,22)/t16-,18+/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide is sourced from PubChem (CID 96515474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).