N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide

C14H24N2O2 — CID 91128303

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N2O2/c1-4-5-11(2)14(18)15-10-13-6-8-16(9-7-13)12(3)17/h5,13H,4,6-10H2,1-3H3,(H,15,18)
InChIKeyVDLNPPRMNIDEDH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.72
Rot. Bonds4

About N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide

N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide (PubChem CID 91128303) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide
PubChem CID91128303
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24N2O2/c1-4-5-11(2)14(18)15-10-13-6-8-16(9-7-13)12(3)17/h5,13H,4,6-10H2,1-3H3,(H,15,18)
InChIKeyVDLNPPRMNIDEDH-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 71896948
2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 72052087
2-[1-(2-Methylpent-2-enoyl)piperidin-4-yl]acetamide
CID 72154521
N-ethyl-1-(2-methylpent-2-enoyl)piperidine-4-carboxamide
CID 72155674
(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 94151524
(E)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 97540193
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 164632195
N-[[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl]-3,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
CID 143384376
(Z,2E)-N-[[(3R,4S)-1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl]-4-methyl-2-propylidenehex-3-enamide
CID 143384378
4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 71983929
(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 75408169

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide (CID 91128303) is N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC1CCN(C(C)=O)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide?
The InChIKey is VDLNPPRMNIDEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-11(2)14(18)15-10-13-6-8-16(9-7-13)12(3)17/h5,13H,4,6-10H2,1-3H3,(H,15,18).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide?
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 91128303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).