1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

C18H32N2O — CID 99858017

IUPAC1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC1=CCC[C@H](C)[C@@H]1CN1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H32N2O/c1-13(2)19-18(21)16-8-10-20(11-9-16)12-17-14(3)6-5-7-15(17)4/h6,13,15-17H,5,7-12H2,1-4H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyDNNCXPVYZFDTGG-DOTOQJQBSA-N
MW292.47 g/mol
LogP3.22
Rot. Bonds4

About 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 99858017) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID99858017
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC1=CCC[C@H](C)[C@@H]1CN1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H32N2O/c1-13(2)19-18(21)16-8-10-20(11-9-16)12-17-14(3)6-5-7-15(17)4/h6,13,15-17H,5,7-12H2,1-4H3,(H,19,21)/t15-,17+/m0/s1
InChIKeyDNNCXPVYZFDTGG-DOTOQJQBSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

4-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,4-diazepane-1-carboxamide
CID 129401310
(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide
CID 99790031
1-[4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-3-methylbutan-1-one
CID 99832564
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 3650832
N-[(2S)-butan-2-yl]-1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 7317771
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
1-[(4-ethoxyphenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328544
N-propan-2-yl-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134803038

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 99858017) is 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC1=CCC[C@H](C)[C@@H]1CN1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DNNCXPVYZFDTGG-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13(2)19-18(21)16-8-10-20(11-9-16)12-17-14(3)6-5-7-15(17)4/h6,13,15-17H,5,7-12H2,1-4H3,(H,19,21)/t15-,17+/m0/s1.
What are the key properties of 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 99858017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).