N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide

C19H28N2O2 — CID 46378993

IUPACN-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)18(23)20-12-9-15-10-13-21(14-11-15)17(22)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,23)
InChIKeyHTYCQMXSIFKOPO-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.09
Rot. Bonds4

About N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 46378993) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID46378993
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)18(23)20-12-9-15-10-13-21(14-11-15)17(22)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,23)
InChIKeyHTYCQMXSIFKOPO-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46378991
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(E)-N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 10150273
(Z)-N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 68649842
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide (CID 46378993) is N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is HTYCQMXSIFKOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)18(23)20-12-9-15-10-13-21(14-11-15)17(22)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 316.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46378993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).