N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C23H22N2O2S — CID 78844975

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C23H22N2O2S/c26-22(19-7-1-2-13-25(19)23(27)20-8-4-14-28-20)24-18-12-11-16-10-9-15-5-3-6-17(18)21(15)16/h3-6,8,11-12,14,19H,1-2,7,9-10,13H2,(H,24,26)
InChIKeyJTZXYLGPWQXBHJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.63
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78844975) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78844975
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C23H22N2O2S/c26-22(19-7-1-2-13-25(19)23(27)20-8-4-14-28-20)24-18-12-11-16-10-9-15-5-3-6-17(18)21(15)16/h3-6,8,11-12,14,19H,1-2,7,9-10,13H2,(H,24,26)
InChIKeyJTZXYLGPWQXBHJ-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614835
N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide
CID 881818
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
N-(4-fluoro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86927366
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86983132
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
(2R)-N-(3-fluoro-2-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 126004910
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
CID 16828076

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78844975) is N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccc2c3c(cccc13)CC2)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is JTZXYLGPWQXBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(19-7-1-2-13-25(19)23(27)20-8-4-14-28-20)24-18-12-11-16-10-9-15-5-3-6-17(18)21(15)16/h3-6,8,11-12,14,19H,1-2,7,9-10,13H2,(H,24,26).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78844975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).