3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide

C19H28N2O2 — CID 51093731

IUPAC3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)9-18(22)21-7-5-17(6-8-21)20-19(23)16-11-14(3)10-15(4)12-16/h10-13,17H,5-9H2,1-4H3,(H,20,23)
InChIKeyIKKGVNHKGNPASU-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.07
Rot. Bonds4

About 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide

3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 51093731) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
PubChem CID51093731
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)9-18(22)21-7-5-17(6-8-21)20-19(23)16-11-14(3)10-15(4)12-16/h10-13,17H,5-9H2,1-4H3,(H,20,23)
InChIKeyIKKGVNHKGNPASU-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154736522
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide (CID 51093731) is 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is Cc1cc(C)cc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is IKKGVNHKGNPASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)9-18(22)21-7-5-17(6-8-21)20-19(23)16-11-14(3)10-15(4)12-16/h10-13,17H,5-9H2,1-4H3,(H,20,23).
What are the key properties of 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide?
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 316.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 51093731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).