[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone

C21H24N2O2S — CID 53158935

IUPAC[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
SMILESCC1CCCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)C1
InChIInChI=1S/C21H24N2O2S/c1-15-6-5-10-22(13-15)21(25)19-12-17-14-23(11-9-18(17)26-19)20(24)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13-14H2,1H3
InChIKeyZBMVOVNEEACSMC-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.82
Rot. Bonds2

About [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone

[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone (PubChem CID 53158935) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
PubChem CID53158935
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
SMILESCC1CCCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)C1
InChIInChI=1S/C21H24N2O2S/c1-15-6-5-10-22(13-15)21(25)19-12-17-14-23(11-9-18(17)26-19)20(24)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13-14H2,1H3
InChIKeyZBMVOVNEEACSMC-UHFFFAOYSA-N
XLogP3.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone with MolForge

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Related Compounds

[2-[(3R)-3-methylpiperidine-1-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 95099242
[2-[(3S)-3-methylpiperidine-1-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone
CID 95099243
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 2562324
3,4-dihydro-1H-isoquinolin-2-yl-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 25480271
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 37439394
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317
(3-hydroxypiperidin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43391538
(3-aminopiperidin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 119377929
5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158992
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone (CID 53158935) is [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone is CC1CCCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)C1.
What is the InChIKey of [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is ZBMVOVNEEACSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-6-5-10-22(13-15)21(25)19-12-17-14-23(11-9-18(17)26-19)20(24)16-7-3-2-4-8-16/h2-4,7-8,12,15H,5-6,9-11,13-14H2,1H3.
What are the key properties of [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone?
[2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 368.50 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 53158935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).