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

C16H25N3OS — CID 60569889

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C16H25N3OS/c1-13-4-2-3-8-19(13)16(20)17-7-10-18-9-5-15-14(12-18)6-11-21-15/h6,11,13H,2-5,7-10,12H2,1H3,(H,17,20)
InChIKeySXSHSARJCZIFIT-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.69
Rot. Bonds3

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

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide (PubChem CID 60569889) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide
PubChem CID60569889
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCN1CCc2sccc2C1
InChIInChI=1S/C16H25N3OS/c1-13-4-2-3-8-19(13)16(20)17-7-10-18-9-5-15-14(12-18)6-11-21-15/h6,11,13H,2-5,7-10,12H2,1H3,(H,17,20)
InChIKeySXSHSARJCZIFIT-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,1-diethylurea
CID 60569410
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60569853
1-cyclopentyl-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylguanidine
CID 110989739
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081384
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]acetamide
CID 35484743
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60569928
(2S,5R)-5-(aminomethyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798949
4-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide;dihydrochloride
CID 120564963
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]furan-3-carboxamide
CID 47368373

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide (CID 60569889) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NCCN1CCc2sccc2C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is SXSHSARJCZIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-13-4-2-3-8-19(13)16(20)17-7-10-18-9-5-15-14(12-18)6-11-21-15/h6,11,13H,2-5,7-10,12H2,1H3,(H,17,20).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60569889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).