tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate

C19H27ClN4O2 — CID 123232359

IUPACtert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate
SMILESCCc1c(N2CCCC(NC(=O)OC(C)(C)C)C2C)cnc(C#N)c1Cl
InChIInChI=1S/C19H27ClN4O2/c1-6-13-16(11-22-15(10-21)17(13)20)24-9-7-8-14(12(24)2)23-18(25)26-19(3,4)5/h11-12,14H,6-9H2,1-5H3,(H,23,25)
InChIKeyFJUBRSUPMCNUIH-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate

tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate (PubChem CID 123232359) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate
PubChem CID123232359
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Nametert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate
SMILESCCc1c(N2CCCC(NC(=O)OC(C)(C)C)C2C)cnc(C#N)c1Cl
InChIInChI=1S/C19H27ClN4O2/c1-6-13-16(11-22-15(10-21)17(13)20)24-9-7-8-14(12(24)2)23-18(25)26-19(3,4)5/h11-12,14H,6-9H2,1-5H3,(H,23,25)
InChIKeyFJUBRSUPMCNUIH-UHFFFAOYSA-N
XLogP4.05
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[5-cyano-6-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]carbamate
CID 123872529
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
tert-butyl N-[1-[2-(3,5-dichloroanilino)acetyl]-2-methylpiperidin-3-yl]carbamate
CID 118890575
tert-butyl N-methylcarbamate;3-chloro-5-piperidin-1-ylpyrazine-2-carbonitrile;ethane
CID 144858007
tert-butyl N-[(3R,5S)-1-(5-cyanopyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
CID 146329316
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
tert-butyl N-[[(2S)-1-(4-cyano-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174201
tert-butyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 18458210
tert-butyl N-[(2S,3R)-1-(1-tert-butyl-5-ethylpyrazole-4-carbonyl)-2-methylpyrrolidin-3-yl]carbamate
CID 124885609
tert-butyl N-[[1-(6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]carbamate
CID 71632384

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate (CID 123232359) is tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate is CCc1c(N2CCCC(NC(=O)OC(C)(C)C)C2C)cnc(C#N)c1Cl.
What is the InChIKey of tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate?
The InChIKey is FJUBRSUPMCNUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-6-13-16(11-22-15(10-21)17(13)20)24-9-7-8-14(12(24)2)23-18(25)26-19(3,4)5/h11-12,14H,6-9H2,1-5H3,(H,23,25).
What are the key properties of tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate?
tert-butyl N-[1-(5-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate has a molecular weight of 378.90 g/mol, XLogP of 4.05, 3 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-chloro-6-cyano-4-ethyl-3-pyridinyl)-2-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 123232359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).