N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide

C10H18N2O — CID 130763417

IUPACN-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
SMILESC=CCC(=O)N[C@H]1CCCN[C@H]1C
InChIInChI=1S/C10H18N2O/c1-3-5-10(13)12-9-6-4-7-11-8(9)2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyHCNVQXMQAUDUSA-IUCAKERBSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds3

About N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide

N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide (PubChem CID 130763417) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
PubChem CID130763417
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide
SMILESC=CCC(=O)N[C@H]1CCCN[C@H]1C
InChIInChI=1S/C10H18N2O/c1-3-5-10(13)12-9-6-4-7-11-8(9)2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyHCNVQXMQAUDUSA-IUCAKERBSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
CID 120575305
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
N-(2-methylpiperidin-3-yl)-2-propylsulfonylacetamide
CID 120577111
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 120574103
1,1-dimethyl-3-[(2R,3R)-2-methylpiperidin-3-yl]urea
CID 118114950
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 120574102
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
CID 130763419

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide?
The IUPAC name of N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide (CID 130763417) is N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide.
What is the SMILES notation for N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide?
The canonical SMILES for N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide is C=CCC(=O)N[C@H]1CCCN[C@H]1C.
What is the InChIKey of N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide?
The InChIKey is HCNVQXMQAUDUSA-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-10(13)12-9-6-4-7-11-8(9)2/h3,8-9,11H,1,4-7H2,2H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide?
N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-methylpiperidin-3-yl]but-3-enamide is sourced from PubChem (CID 130763417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).