N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide

C17H28N2O2 — CID 46477305

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)16(21)19-11-9-14(10-12-19)18-15(20)13-7-5-4-6-8-13/h4-5,13-14H,6-12H2,1-3H3,(H,18,20)
InChIKeyWYFBHMYMUDVGCH-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.50
Rot. Bonds2

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 46477305) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
PubChem CID46477305
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)16(21)19-11-9-14(10-12-19)18-15(20)13-7-5-4-6-8-13/h4-5,13-14H,6-12H2,1-3H3,(H,18,20)
InChIKeyWYFBHMYMUDVGCH-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42891784
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857
(1S)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 97415247
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide
CID 112727975
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
CID 156676783
(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744073
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide (CID 46477305) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide is CC(C)(C)C(=O)N1CCC(NC(=O)C2CC=CCC2)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WYFBHMYMUDVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)16(21)19-11-9-14(10-12-19)18-15(20)13-7-5-4-6-8-13/h4-5,13-14H,6-12H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 46477305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).