tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate

C20H24N4O2S — CID 70842611

IUPACtert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccc(N3CCCCC3)nc2)cc1C#N
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)26-19(25)23-18-15(12-21)11-16(27-18)14-7-8-17(22-13-14)24-9-5-4-6-10-24/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyNHHUJPIPOMUSQE-UHFFFAOYSA-N
MW384.51 g/mol
LogP5.02
Rot. Bonds3

About tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate

tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate (PubChem CID 70842611) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate
PubChem CID70842611
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Nametert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccc(N3CCCCC3)nc2)cc1C#N
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)26-19(25)23-18-15(12-21)11-16(27-18)14-7-8-17(22-13-14)24-9-5-4-6-10-24/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyNHHUJPIPOMUSQE-UHFFFAOYSA-N
XLogP5.02
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123571753
tert-butyl N-[(6-piperidin-1-yl-3-pyridinyl)amino]carbamate
CID 151643186
tert-butyl N-methylcarbamate;6-(1-methylpyrazol-4-yl)-4-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 142404155
tert-butyl N-[5-[6-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541843
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
tert-butyl 4-[5-(3-cyano-1H-indol-6-yl)-2-pyridinyl]piperazine-1-carboxylate;ethane
CID 164553944
tert-butyl 3-[5-[3-cyano-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 166928353
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
tert-butyl N-[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 69116044
tert-butyl N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 126752988
tert-butyl N-[(2R)-1-[4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 140872402

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate (CID 70842611) is tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate is CC(C)(C)OC(=O)Nc1sc(-c2ccc(N3CCCCC3)nc2)cc1C#N.
What is the InChIKey of tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate?
The InChIKey is NHHUJPIPOMUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(2,3)26-19(25)23-18-15(12-21)11-16(27-18)14-7-8-17(22-13-14)24-9-5-4-6-10-24/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate?
tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate has a molecular weight of 384.51 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-cyano-5-(6-piperidin-1-yl-3-pyridinyl)thiophen-2-yl]carbamate is sourced from PubChem (CID 70842611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).