tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate

C24H34N4O3 — CID 140684114

IUPACtert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate
SMILESCc1cc(C)cc(-c2cncc(N)c2N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C24H34N4O3/c1-16-10-17(2)12-18(11-16)19-13-26-14-20(25)21(19)28-8-6-24(30,7-9-28)15-27-22(29)31-23(3,4)5/h10-14,30H,6-9,15,25H2,1-5H3,(H,27,29)
InChIKeyGZRHYXRVBXNDKJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate (PubChem CID 140684114) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate
PubChem CID140684114
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nametert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate
SMILESCc1cc(C)cc(-c2cncc(N)c2N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C24H34N4O3/c1-16-10-17(2)12-18(11-16)19-13-26-14-20(25)21(19)28-8-6-24(30,7-9-28)15-27-22(29)31-23(3,4)5/h10-14,30H,6-9,15,25H2,1-5H3,(H,27,29)
InChIKeyGZRHYXRVBXNDKJ-UHFFFAOYSA-N
XLogP3.80
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 118057666
tert-butyl N-[[1-(4-bromo-2-nitrophenyl)-4-hydroxypiperidin-4-yl]methyl]carbamate
CID 178082221
tert-butyl N-[1-[3-(benzamidocarbamoyl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 140684119
tert-butyl N-[[1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]-4-hydroxypiperidin-4-yl]methyl]carbamate
CID 118958208
tert-butyl N-[[1-(3-ethylpent-2-enoyl)-4-hydroxypiperidin-4-yl]methyl]carbamate
CID 126455006
tert-butyl N-[[1-(6-fluoropyridine-3-carbonyl)-3-hydroxyazetidin-3-yl]methyl]carbamate
CID 125421874
tert-butyl N-[[1-[3,4-difluoro-5-(3-fluorophenoxy)phenyl]-4-hydroxypiperidin-4-yl]methyl]carbamate
CID 118958573
1-cyclopropyl-6,8-difluoro-7-[3-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 19382235
tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
CID 175835276
tert-butyl 2-[1-(4-amino-5-fluoro-2-methylphenyl)-4-hydroxypiperidin-4-yl]acetate
CID 163780282
tert-butyl N-[[1-[[5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 140558276
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate (CID 140684114) is tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate is Cc1cc(C)cc(-c2cncc(N)c2N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate?
The InChIKey is GZRHYXRVBXNDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16-10-17(2)12-18(11-16)19-13-26-14-20(25)21(19)28-8-6-24(30,7-9-28)15-27-22(29)31-23(3,4)5/h10-14,30H,6-9,15,25H2,1-5H3,(H,27,29).
What are the key properties of tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 140684114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).