1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C20H25N3O2S — CID 119308566

IUPAC1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESNC(C(=O)N1CCC(C(=O)NCCc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c21-18(15-5-2-1-3-6-15)20(25)23-12-9-16(10-13-23)19(24)22-11-8-17-7-4-14-26-17/h1-7,14,16,18H,8-13,21H2,(H,22,24)
InChIKeyZOUXQNZYRVVAJC-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.35
Rot. Bonds6

About 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 119308566) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID119308566
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESNC(C(=O)N1CCC(C(=O)NCCc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c21-18(15-5-2-1-3-6-15)20(25)23-12-9-16(10-13-23)19(24)22-11-8-17-7-4-14-26-17/h1-7,14,16,18H,8-13,21H2,(H,22,24)
InChIKeyZOUXQNZYRVVAJC-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
2-amino-2-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 119834072
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120790556
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 119308566) is 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is NC(C(=O)N1CCC(C(=O)NCCc2cccs2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is ZOUXQNZYRVVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c21-18(15-5-2-1-3-6-15)20(25)23-12-9-16(10-13-23)19(24)22-11-8-17-7-4-14-26-17/h1-7,14,16,18H,8-13,21H2,(H,22,24).
What are the key properties of 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119308566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).