tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate

C17H27N3O3 — CID 107239688

IUPACtert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NC2CCCNC2)c1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-14-8-7-13(22-4)10-15(14)19-12-6-5-9-18-11-12/h7-8,10,12,18-19H,5-6,9,11H2,1-4H3,(H,20,21)
InChIKeyXXCCPWZCOYBCNZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate

tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate (PubChem CID 107239688) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
PubChem CID107239688
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
SMILESCOc1ccc(NC(=O)OC(C)(C)C)c(NC2CCCNC2)c1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-14-8-7-13(22-4)10-15(14)19-12-6-5-9-18-11-12/h7-8,10,12,18-19H,5-6,9,11H2,1-4H3,(H,20,21)
InChIKeyXXCCPWZCOYBCNZ-UHFFFAOYSA-N
XLogP3.21
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-methoxy-2-[(1-methylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 107239677
tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
CID 107239722
tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
CID 107239747
tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239711
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
CID 117446472
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
CID 107244669
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate (CID 107239688) is tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate is COc1ccc(NC(=O)OC(C)(C)C)c(NC2CCCNC2)c1.
What is the InChIKey of tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate?
The InChIKey is XXCCPWZCOYBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-14-8-7-13(22-4)10-15(14)19-12-6-5-9-18-11-12/h7-8,10,12,18-19H,5-6,9,11H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate?
tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate is sourced from PubChem (CID 107239688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).