2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide

C20H27N3OS — CID 120775231

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCC1(C)CN(CC(=O)NC(c2ccccc2)c2cccs2)CCC1N
InChIInChI=1S/C20H27N3OS/c1-20(2)14-23(11-10-17(20)21)13-18(24)22-19(16-9-6-12-25-16)15-7-4-3-5-8-15/h3-9,12,17,19H,10-11,13-14,21H2,1-2H3,(H,22,24)
InChIKeyFJRLXYGBFWBEPV-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 120775231) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID120775231
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCC1(C)CN(CC(=O)NC(c2ccccc2)c2cccs2)CCC1N
InChIInChI=1S/C20H27N3OS/c1-20(2)14-23(11-10-17(20)21)13-18(24)22-19(16-9-6-12-25-16)15-7-4-3-5-8-15/h3-9,12,17,19H,10-11,13-14,21H2,1-2H3,(H,22,24)
InChIKeyFJRLXYGBFWBEPV-UHFFFAOYSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
CID 120776374
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 111123159
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443
3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 166324263
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
methyl 1-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754723
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18088811

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 120775231) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide is CC1(C)CN(CC(=O)NC(c2ccccc2)c2cccs2)CCC1N.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is FJRLXYGBFWBEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-20(2)14-23(11-10-17(20)21)13-18(24)22-19(16-9-6-12-25-16)15-7-4-3-5-8-15/h3-9,12,17,19H,10-11,13-14,21H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 120775231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).