N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide

C25H32N4O4S — CID 154670970

IUPACN-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cc(NC(=O)C4CCCNC4)sc23)cc(OC)c1CN(C)C
InChIInChI=1S/C25H32N4O4S/c1-28(2)13-19-20(32-4)9-16(10-21(19)33-5)18-14-29(3)25(31)17-11-22(34-23(17)18)27-24(30)15-7-6-8-26-12-15/h9-11,14-15,26H,6-8,12-13H2,1-5H3,(H,27,30)
InChIKeyPBAPFRLUSCQEFE-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.28
Rot. Bonds7

About N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide

N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide (PubChem CID 154670970) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide
PubChem CID154670970
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide
SMILESCOc1cc(-c2cn(C)c(=O)c3cc(NC(=O)C4CCCNC4)sc23)cc(OC)c1CN(C)C
InChIInChI=1S/C25H32N4O4S/c1-28(2)13-19-20(32-4)9-16(10-21(19)33-5)18-14-29(3)25(31)17-11-22(34-23(17)18)27-24(30)15-7-6-8-26-12-15/h9-11,14-15,26H,6-8,12-13H2,1-5H3,(H,27,30)
InChIKeyPBAPFRLUSCQEFE-UHFFFAOYSA-N
XLogP3.28
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one
CID 156817535
(3S)-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]piperidine-3-carboxamide
CID 81119695
N-[7-[3,5-dimethoxy-4-[[methyl-[2-[2-[2-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]methyl]phenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
CID 176672950
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4,4-difluoropyrrolidin-3-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 154671315
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119887720
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[(4S)-1-[1-[2-[(3R)-2,6-dioxopiperidin-3-yl]-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]-3,3-difluoropiperidin-4-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 155034687
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide (CID 154670970) is N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide is COc1cc(-c2cn(C)c(=O)c3cc(NC(=O)C4CCCNC4)sc23)cc(OC)c1CN(C)C.
What is the InChIKey of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide?
The InChIKey is PBAPFRLUSCQEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-28(2)13-19-20(32-4)9-16(10-21(19)33-5)18-14-29(3)25(31)17-11-22(34-23(17)18)27-24(30)15-7-6-8-26-12-15/h9-11,14-15,26H,6-8,12-13H2,1-5H3,(H,27,30).
What are the key properties of N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide?
N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide has a molecular weight of 484.62 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 154670970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).