3-methyl-N-piperidin-3-ylbut-2-enamide

C10H18N2O — CID 63321543

IUPAC3-methyl-N-piperidin-3-ylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCNC1
InChIInChI=1S/C10H18N2O/c1-8(2)6-10(13)12-9-4-3-5-11-7-9/h6,9,11H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyKDALRJPPDSFWOH-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds2

About 3-methyl-N-piperidin-3-ylbut-2-enamide

3-methyl-N-piperidin-3-ylbut-2-enamide (PubChem CID 63321543) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-methyl-N-piperidin-3-ylbut-2-enamide.

Molecular Properties

Compound Name3-methyl-N-piperidin-3-ylbut-2-enamide
PubChem CID63321543
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-methyl-N-piperidin-3-ylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCCNC1
InChIInChI=1S/C10H18N2O/c1-8(2)6-10(13)12-9-4-3-5-11-7-9/h6,9,11H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyKDALRJPPDSFWOH-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-3-methylbut-2-enamide
CID 66185588
2-cyclobutylidene-N-[(3R)-piperidin-3-yl]acetamide
CID 130763180
(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide
CID 163525562
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
N-piperidin-3-ylpropanamide
CID 3520588
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N-(3-hydroxycyclohexyl)-3-methylbut-2-enamide
CID 130157948
(Z)-N-[(3S)-piperidin-3-yl]-2-sulfanylbut-2-enamide
CID 176678198
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-3-ylbut-2-enamide?
The IUPAC name of 3-methyl-N-piperidin-3-ylbut-2-enamide (CID 63321543) is 3-methyl-N-piperidin-3-ylbut-2-enamide.
What is the SMILES notation for 3-methyl-N-piperidin-3-ylbut-2-enamide?
The canonical SMILES for 3-methyl-N-piperidin-3-ylbut-2-enamide is CC(C)=CC(=O)NC1CCCNC1.
What is the InChIKey of 3-methyl-N-piperidin-3-ylbut-2-enamide?
The InChIKey is KDALRJPPDSFWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)6-10(13)12-9-4-3-5-11-7-9/h6,9,11H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-N-piperidin-3-ylbut-2-enamide?
3-methyl-N-piperidin-3-ylbut-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-3-ylbut-2-enamide is sourced from PubChem (CID 63321543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).