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

C17H30N2O — CID 7317644

IUPACN-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O/c1-17(2,3)18-16(20)15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-5,14-15H,6-13H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyDKRADOWFLKQPDA-CQSZACIVSA-N
MW278.44 g/mol
LogP2.97
Rot. Bonds3

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

N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide (PubChem CID 7317644) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
PubChem CID7317644
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O/c1-17(2,3)18-16(20)15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-5,14-15H,6-13H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyDKRADOWFLKQPDA-CQSZACIVSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

1-Cyclohex-3-enylmethyl-piperidine-4-carboxylic acid diethylamide
CID 645987
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
1'-(cyclohex-3-en-1-ylmethyl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16192096
Cambridge id 6578844
CID 2903559
Cambridge id 5431381
CID 2846180
Cambridge id 6578224
CID 2903407
Cambridge id 6577895
CID 3152668
1-[(2S)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide
CID 26458002
1-acetyl-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-4-carboxamide
CID 6467776
N-(tert-butyl)-4-((cyclohex-3-enecarboxamido)methyl)piperidine-1-carboxamide
CID 71796755
N-tert-butyl-4-{[(S)-3-cyclohexen-1-ylcarbonylamino]methyl}-1-piperidinecarboxamide
CID 95986159
1-(Cyclohex-3-ene-1-carbonyl)piperazine
CID 21183946

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide (CID 7317644) is N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The InChIKey is DKRADOWFLKQPDA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)18-16(20)15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-5,14-15H,6-13H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 7317644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).