3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide

C20H32N2O2 — CID 75049088

IUPAC3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide
SMILESCC(=CC(=O)NC1CCCNC1=O)CCC1(C)C(C)=CCCC1C
InChIInChI=1S/C20H32N2O2/c1-14(10-11-20(4)15(2)7-5-8-16(20)3)13-18(23)22-17-9-6-12-21-19(17)24/h7,13,16-17H,5-6,8-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyAETOKBXKVBFSTR-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.49
Rot. Bonds5

About 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide

3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide (PubChem CID 75049088) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide
PubChem CID75049088
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide
SMILESCC(=CC(=O)NC1CCCNC1=O)CCC1(C)C(C)=CCCC1C
InChIInChI=1S/C20H32N2O2/c1-14(10-11-20(4)15(2)7-5-8-16(20)3)13-18(23)22-17-9-6-12-21-19(17)24/h7,13,16-17H,5-6,8-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyAETOKBXKVBFSTR-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide with MolForge

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Related Compounds

N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 62092726
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 55033831
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 55176788
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968
N-[3,7-dimethyl-9-(1,2,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dienyl]-N-[4-(methylamino)-6-(propan-2-ylamino)pyrimidin-5-yl]formamide
CID 78141539
(3S,4R,4aR,8aR)-3,4,8,8a-tetramethyl-4-(3-oxobutyl)-3,4a,5,6-tetrahydro-1H-naphthalen-2-one
CID 10869558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide?
The IUPAC name of 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide (CID 75049088) is 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide.
What is the SMILES notation for 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide?
The canonical SMILES for 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide is CC(=CC(=O)NC1CCCNC1=O)CCC1(C)C(C)=CCCC1C.
What is the InChIKey of 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide?
The InChIKey is AETOKBXKVBFSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14(10-11-20(4)15(2)7-5-8-16(20)3)13-18(23)22-17-9-6-12-21-19(17)24/h7,13,16-17H,5-6,8-12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide?
3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide has a molecular weight of 332.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide is sourced from PubChem (CID 75049088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).