N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

C21H27N3O2S — CID 167970684

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1
InChIInChI=1S/C21H27N3O2S/c1-26-18-5-3-2-4-15(18)14-24-10-7-17(8-11-24)23-21(25)20-12-16-13-22-9-6-19(16)27-20/h2-5,12,17,22H,6-11,13-14H2,1H3,(H,23,25)
InChIKeyMUXGLOBYQKSFIC-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.80
Rot. Bonds5

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 167970684) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
PubChem CID167970684
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1
InChIInChI=1S/C21H27N3O2S/c1-26-18-5-3-2-4-15(18)14-24-10-7-17(8-11-24)23-21(25)20-12-16-13-22-9-6-19(16)27-20/h2-5,12,17,22H,6-11,13-14H2,1H3,(H,23,25)
InChIKeyMUXGLOBYQKSFIC-UHFFFAOYSA-N
XLogP2.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55951082
5-tert-butyl-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60609191
N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide
CID 138111140
5-(1,3-benzothiazol-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 55951601
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
2-chloro-6-fluoro-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979355
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
3,4,5-trimethoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 55951861
5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 55951354
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600
1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55978323

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (CID 167970684) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is COc1ccccc1CN1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is MUXGLOBYQKSFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-26-18-5-3-2-4-15(18)14-24-10-7-17(8-11-24)23-21(25)20-12-16-13-22-9-6-19(16)27-20/h2-5,12,17,22H,6-11,13-14H2,1H3,(H,23,25).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 167970684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).