N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

C21H29N3OS — CID 50839363

IUPACN-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(=O)NC4CCCCCC4)C3)nccc2s1
InChIInChI=1S/C21H29N3OS/c1-15-13-18-19(26-15)10-11-22-20(18)24-12-6-7-16(14-24)21(25)23-17-8-4-2-3-5-9-17/h10-11,13,16-17H,2-9,12,14H2,1H3,(H,23,25)
InChIKeyWYBISEUCCUHEBR-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.66
Rot. Bonds3

About N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (PubChem CID 50839363) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
PubChem CID50839363
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(=O)NC4CCCCCC4)C3)nccc2s1
InChIInChI=1S/C21H29N3OS/c1-15-13-18-19(26-15)10-11-22-20(18)24-12-6-7-16(14-24)21(25)23-17-8-4-2-3-5-9-17/h10-11,13,16-17H,2-9,12,14H2,1H3,(H,23,25)
InChIKeyWYBISEUCCUHEBR-UHFFFAOYSA-N
XLogP4.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839609
(3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92898998
(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92885044
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885007
N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839463
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885018
(3R)-N-cyclohexyl-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 92884372
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-cyclopropyl-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392301
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 133408219

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (CID 50839363) is N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is Cc1cc2c(N3CCCC(C(=O)NC4CCCCCC4)C3)nccc2s1.
What is the InChIKey of N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The InChIKey is WYBISEUCCUHEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-15-13-18-19(26-15)10-11-22-20(18)24-12-6-7-16(14-24)21(25)23-17-8-4-2-3-5-9-17/h10-11,13,16-17H,2-9,12,14H2,1H3,(H,23,25).
What are the key properties of N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50839363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).