tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate

C16H22N4O2 — CID 50986487

IUPACtert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-6-8-20(9-7-13)14-5-4-12(10-17)11-18-14/h4-5,11,13H,6-9H2,1-3H3,(H,19,21)
InChIKeyFHVJGMSJNPXNSJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate (PubChem CID 50986487) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
PubChem CID50986487
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-6-8-20(9-7-13)14-5-4-12(10-17)11-18-14/h4-5,11,13H,6-9H2,1-3H3,(H,19,21)
InChIKeyFHVJGMSJNPXNSJ-UHFFFAOYSA-N
XLogP2.45
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
tert-butyl N-[1-(5-cyano-3-pyridinyl)piperidin-4-yl]carbamate
CID 66756810
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 69116044
6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide
CID 158084362
tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate
CID 141397022
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
tert-butyl N-[1-(5-cyano-2-nitrophenyl)piperidin-4-yl]carbamate
CID 133328190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate (CID 50986487) is tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate?
The InChIKey is FHVJGMSJNPXNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-6-8-20(9-7-13)14-5-4-12(10-17)11-18-14/h4-5,11,13H,6-9H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate has a molecular weight of 302.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 50986487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).