N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide

C18H26N2O2 — CID 110819857

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13-6-5-7-14(12-13)16(21)19-15-8-10-20(11-9-15)17(22)18(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,19,21)
InChIKeyAAISIHLPCQSSLM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds2

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide (PubChem CID 110819857) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
PubChem CID110819857
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13-6-5-7-14(12-13)16(21)19-15-8-10-20(11-9-15)17(22)18(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,19,21)
InChIKeyAAISIHLPCQSSLM-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-cyclooctyl-3-methylbenzamide
CID 966011
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide (CID 110819857) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide?
The InChIKey is AAISIHLPCQSSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-6-5-7-14(12-13)16(21)19-15-8-10-20(11-9-15)17(22)18(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 110819857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).