N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide

C20H30N2O2 — CID 110822276

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-6-5-7-16(12-15)13-18(23)21-17-8-10-22(11-9-17)19(24)14-20(2,3)4/h5-7,12,17H,8-11,13-14H2,1-4H3,(H,21,23)
InChIKeyMTYJDFCGQRNNMK-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide (PubChem CID 110822276) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
PubChem CID110822276
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1
InChIInChI=1S/C20H30N2O2/c1-15-6-5-7-16(12-15)13-18(23)21-17-8-10-22(11-9-17)19(24)14-20(2,3)4/h5-7,12,17H,8-11,13-14H2,1-4H3,(H,21,23)
InChIKeyMTYJDFCGQRNNMK-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
tert-butyl N-[2-[4-[[2-(3-methylphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916770
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
tert-butyl N-[3-[[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919706
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide (CID 110822276) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC2CCN(C(=O)CC(C)(C)C)CC2)c1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is MTYJDFCGQRNNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-6-5-7-16(12-15)13-18(23)21-17-8-10-22(11-9-17)19(24)14-20(2,3)4/h5-7,12,17H,8-11,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 110822276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).