1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C13H19N3O2S — CID 16909165

IUPAC1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c14-12(17)9-16-5-3-10(4-6-16)13(18)15-8-11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H2,14,17)(H,15,18)
InChIKeyUQTAQGFIRPOBQP-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.56
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 16909165) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID16909165
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c14-12(17)9-16-5-3-10(4-6-16)13(18)15-8-11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H2,14,17)(H,15,18)
InChIKeyUQTAQGFIRPOBQP-UHFFFAOYSA-N
XLogP0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16910291
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27071147
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
CID 70785942
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 16909165) is 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UQTAQGFIRPOBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-12(17)9-16-5-3-10(4-6-16)13(18)15-8-11-2-1-7-19-11/h1-2,7,10H,3-6,8-9H2,(H2,14,17)(H,15,18).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).