N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide

C15H26N2O — CID 42891784

IUPACN-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H26N2O/c1-12(2)17-10-8-14(9-11-17)16-15(18)13-6-4-3-5-7-13/h3-4,12-14H,5-11H2,1-2H3,(H,16,18)
InChIKeyXGQQUTXLYCDWEA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds3

About N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide

N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 42891784) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
PubChem CID42891784
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC=CCC2)CC1
InChIInChI=1S/C15H26N2O/c1-12(2)17-10-8-14(9-11-17)16-15(18)13-6-4-3-5-7-13/h3-4,12-14H,5-11H2,1-2H3,(H,16,18)
InChIKeyXGQQUTXLYCDWEA-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
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)cyclopropanecarboxamide
CID 25236585
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 46477305
(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 81124488
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
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
2-oxo-N-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 139302184
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744073
2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide (CID 42891784) is N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide is CC(C)N1CCC(NC(=O)C2CC=CCC2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is XGQQUTXLYCDWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)17-10-8-14(9-11-17)16-15(18)13-6-4-3-5-7-13/h3-4,12-14H,5-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide?
N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42891784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).