N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide

C18H30N2O2 — CID 51082362

IUPACN-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C18H30N2O2/c1-12(2)10-15-16(18(15,4)5)17(22)20-8-6-14(7-9-20)11-19-13(3)21/h10,14-16H,6-9,11H2,1-5H3,(H,19,21)
InChIKeySIJGANHZFBTQDG-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.60
Rot. Bonds4

About N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 51082362) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID51082362
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C18H30N2O2/c1-12(2)10-15-16(18(15,4)5)17(22)20-8-6-14(7-9-20)11-19-13(3)21/h10,14-16H,6-9,11H2,1-5H3,(H,19,21)
InChIKeySIJGANHZFBTQDG-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
CID 38026946
N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide
CID 42564928
1-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 56810658
2-[1-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 56813579
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 71888290
3,3-dimethyl-N-[[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]butanamide
CID 38028005
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 42943349
2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47016936
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 47016973
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 47018828
N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 47126937
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 51123161

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide (CID 51082362) is N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1.
What is the InChIKey of N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SIJGANHZFBTQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-12(2)10-15-16(18(15,4)5)17(22)20-8-6-14(7-9-20)11-19-13(3)21/h10,14-16H,6-9,11H2,1-5H3,(H,19,21).
What are the key properties of N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 51082362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).