N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide

C20H27N3OS — CID 46395491

IUPACN-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C20H27N3OS/c24-20(22-16-5-3-1-2-4-6-16)15-8-12-23(13-9-15)19-17-10-14-25-18(17)7-11-21-19/h7,10-11,14-16H,1-6,8-9,12-13H2,(H,22,24)
InChIKeyIRWGVOPPUOSGCB-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.35
Rot. Bonds3

About N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide

N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46395491) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46395491
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C20H27N3OS/c24-20(22-16-5-3-1-2-4-6-16)15-8-12-23(13-9-15)19-17-10-14-25-18(17)7-11-21-19/h7,10-11,14-16H,1-6,8-9,12-13H2,(H,22,24)
InChIKeyIRWGVOPPUOSGCB-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide (CID 46395491) is N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(c2nccc3sccc23)CC1.
What is the InChIKey of N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is IRWGVOPPUOSGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c24-20(22-16-5-3-1-2-4-6-16)15-8-12-23(13-9-15)19-17-10-14-25-18(17)7-11-21-19/h7,10-11,14-16H,1-6,8-9,12-13H2,(H,22,24).
What are the key properties of N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide?
N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46395491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).