2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide

C13H19N3O2S — CID 95401258

IUPAC2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
SMILESCNCC(=O)N[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C13H19N3O2S/c1-14-8-12(17)15-10-4-2-6-16(9-10)13(18)11-5-3-7-19-11/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyAEGOSWRWUMMBPH-JTQLQIEISA-N
MW281.38 g/mol
LogP0.69
Rot. Bonds4

About 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide

2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 95401258) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID95401258
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
SMILESCNCC(=O)N[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C13H19N3O2S/c1-14-8-12(17)15-10-4-2-6-16(9-10)13(18)11-5-3-7-19-11/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyAEGOSWRWUMMBPH-JTQLQIEISA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 97122179
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95727351
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86965741

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide (CID 95401258) is 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide is CNCC(=O)N[C@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is AEGOSWRWUMMBPH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-14-8-12(17)15-10-4-2-6-16(9-10)13(18)11-5-3-7-19-11/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide?
2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 95401258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).