N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide

C18H31N3O2 — CID 95986159

IUPACN-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)20-17(23)21-11-9-14(10-12-21)13-19-16(22)15-7-5-4-6-8-15/h4-5,14-15H,6-13H2,1-3H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyYDKHEVHLYRXVSV-OAHLLOKOSA-N
MW321.46 g/mol
LogP2.68
Rot. Bonds3

About N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide (PubChem CID 95986159) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide
PubChem CID95986159
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)20-17(23)21-11-9-14(10-12-21)13-19-16(22)15-7-5-4-6-8-15/h4-5,14-15H,6-13H2,1-3H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyYDKHEVHLYRXVSV-OAHLLOKOSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5093494
4-[1-(Cyclopent-3-ene-1-carbonyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910217
N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 7317644
(3S)-3-N-(5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-yl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 153400172
1-N-(cyclohex-3-en-1-ylmethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 71868457
(3S)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 95932416
(3R)-1-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 95932417
(3S)-1-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 95932418
(3R)-1-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 95932419
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 42943349
N-(tert-butyl)-4-(pent-4-enamidomethyl)piperidine-1-carboxamide
CID 49687913
Methyl 4-((cyclohex-3-enecarboxamido)methyl)piperidine-1-carboxylate
CID 71786829

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide (CID 95986159) is N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1.
What is the InChIKey of N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide?
The InChIKey is YDKHEVHLYRXVSV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-18(2,3)20-17(23)21-11-9-14(10-12-21)13-19-16(22)15-7-5-4-6-8-15/h4-5,14-15H,6-13H2,1-3H3,(H,19,22)(H,20,23)/t15-/m1/s1.
What are the key properties of N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95986159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).