2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide

C23H30N2O2S — CID 60507562

IUPAC2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(C)C(NC(=O)CN1CCC(C(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C23H30N2O2S/c1-23(2,3)22(19-10-7-15-28-19)24-20(26)16-25-13-11-18(12-14-25)21(27)17-8-5-4-6-9-17/h4-10,15,18,22H,11-14,16H2,1-3H3,(H,24,26)
InChIKeySEHKEOBKEQWATM-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.55
Rot. Bonds6

About 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide

2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 60507562) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID60507562
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)(C)C(NC(=O)CN1CCC(C(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C23H30N2O2S/c1-23(2,3)22(19-10-7-15-28-19)24-20(26)16-25-13-11-18(12-14-25)21(27)17-8-5-4-6-9-17/h4-10,15,18,22H,11-14,16H2,1-3H3,(H,24,26)
InChIKeySEHKEOBKEQWATM-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921437
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 51322931
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 87025148
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656121

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide (CID 60507562) is 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide is CC(C)(C)C(NC(=O)CN1CCC(C(=O)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is SEHKEOBKEQWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-23(2,3)22(19-10-7-15-28-19)24-20(26)16-25-13-11-18(12-14-25)21(27)17-8-5-4-6-9-17/h4-10,15,18,22H,11-14,16H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide?
2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 398.57 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 60507562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).