N-(2-methylpiperidin-3-yl)hex-5-enamide

C12H22N2O — CID 120576314

IUPACN-(2-methylpiperidin-3-yl)hex-5-enamide
SMILESC=CCCCC(=O)NC1CCCNC1C
InChIInChI=1S/C12H22N2O/c1-3-4-5-8-12(15)14-11-7-6-9-13-10(11)2/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyHPBPSXQGGAKCFG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)hex-5-enamide

N-(2-methylpiperidin-3-yl)hex-5-enamide (PubChem CID 120576314) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)hex-5-enamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)hex-5-enamide
PubChem CID120576314
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-methylpiperidin-3-yl)hex-5-enamide
SMILESC=CCCCC(=O)NC1CCCNC1C
InChIInChI=1S/C12H22N2O/c1-3-4-5-8-12(15)14-11-7-6-9-13-10(11)2/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyHPBPSXQGGAKCFG-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
CID 130763417
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
CID 120575305
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576336
4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576787
3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
CID 120573407
N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206930
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)hex-5-enamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)hex-5-enamide (CID 120576314) is N-(2-methylpiperidin-3-yl)hex-5-enamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)hex-5-enamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)hex-5-enamide is C=CCCCC(=O)NC1CCCNC1C.
What is the InChIKey of N-(2-methylpiperidin-3-yl)hex-5-enamide?
The InChIKey is HPBPSXQGGAKCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-8-12(15)14-11-7-6-9-13-10(11)2/h3,10-11,13H,1,4-9H2,2H3,(H,14,15).
What are the key properties of N-(2-methylpiperidin-3-yl)hex-5-enamide?
N-(2-methylpiperidin-3-yl)hex-5-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)hex-5-enamide is sourced from PubChem (CID 120576314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).