(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide

C22H25N3O2S — CID 51961905

IUPAC(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)CSc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H25N3O2S/c26-21(15-28-19-10-9-16-5-3-6-17(16)13-19)25-12-4-7-18(14-25)22(27)24-20-8-1-2-11-23-20/h1-2,8-11,13,18H,3-7,12,14-15H2,(H,23,24,27)/t18-/m1/s1
InChIKeyAOXXUCSFNOUSGY-GOSISDBHSA-N
MW395.53 g/mol
LogP3.54
Rot. Bonds5

About (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 51961905) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID51961905
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)CSc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H25N3O2S/c26-21(15-28-19-10-9-16-5-3-6-17(16)13-19)25-12-4-7-18(14-25)22(27)24-20-8-1-2-11-23-20/h1-2,8-11,13,18H,3-7,12,14-15H2,(H,23,24,27)/t18-/m1/s1
InChIKeyAOXXUCSFNOUSGY-GOSISDBHSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808623
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2-pyridin-4-ylazepan-1-yl)ethanone
CID 55764471
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 136553335
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide (CID 51961905) is (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)CSc2ccc3c(c2)CCC3)C1.
What is the InChIKey of (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is AOXXUCSFNOUSGY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-21(15-28-19-10-9-16-5-3-6-17(16)13-19)25-12-4-7-18(14-25)22(27)24-20-8-1-2-11-23-20/h1-2,8-11,13,18H,3-7,12,14-15H2,(H,23,24,27)/t18-/m1/s1.
What are the key properties of (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51961905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).