(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone

C16H18N2OS — CID 43367357

IUPAC(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
SMILESNc1sc(-c2ccccc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C16H18N2OS/c17-15-13(16(19)18-9-5-2-6-10-18)11-14(20-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,17H2
InChIKeyCHBXKKCFECVWGN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.62
Rot. Bonds2

About (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone

(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone (PubChem CID 43367357) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
PubChem CID43367357
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
SMILESNc1sc(-c2ccccc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C16H18N2OS/c17-15-13(16(19)18-9-5-2-6-10-18)11-14(20-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,17H2
InChIKeyCHBXKKCFECVWGN-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
9-[1-(2-amino-5-phenylthiophene-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 68665556
(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
CID 154351103
(2-amino-5-propan-2-ylthiophen-3-yl)-pyrrolidin-1-ylmethanone
CID 43367331
(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
CID 3667213
2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
CID 134815708
4-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 175705601
2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone
CID 68507690
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone (CID 43367357) is (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone is Nc1sc(-c2ccccc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
The InChIKey is CHBXKKCFECVWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-15-13(16(19)18-9-5-2-6-10-18)11-14(20-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,17H2.
What are the key properties of (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone?
(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone has a molecular weight of 286.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 43367357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).