tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate

C24H33N3O3 — CID 118057666

IUPACtert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1cc(C)cc(-c2cncc(CO)c2N2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C24H33N3O3/c1-16-10-17(2)12-18(11-16)21-14-25-13-19(15-28)22(21)27-8-6-20(7-9-27)26-23(29)30-24(3,4)5/h10-14,20,28H,6-9,15H2,1-5H3,(H,26,29)
InChIKeyQEADHWCUTACFRO-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 118057666) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate
PubChem CID118057666
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Nametert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate
SMILESCc1cc(C)cc(-c2cncc(CO)c2N2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C24H33N3O3/c1-16-10-17(2)12-18(11-16)21-14-25-13-19(15-28)22(21)27-8-6-20(7-9-27)26-23(29)30-24(3,4)5/h10-14,20,28H,6-9,15H2,1-5H3,(H,26,29)
InChIKeyQEADHWCUTACFRO-UHFFFAOYSA-N
XLogP4.35
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[3-(benzamidocarbamoyl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 140684119
[1-[3-(3,5-dimethylphenyl)-5-iodo-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 118057729
tert-butyl N-[[1-[3-amino-5-(3,5-dimethylphenyl)-4-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]carbamate
CID 140684114
methyl 3-methyl-5-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]phenyl]benzoate
CID 166135155
tert-butyl N-[(3S)-1-[2-fluoro-6-(hydroxymethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 174408764
tert-butyl N-[1-[2-chloro-3-(5,6-difluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 176911277
tert-butyl N-[1-(5-cyano-3-pyridinyl)piperidin-4-yl]carbamate
CID 66756810
tert-butyl N-[1-[6-bromo-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]carbamate
CID 171535239
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783
tert-butyl N-[1-[2-chloro-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 146450428
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate (CID 118057666) is tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate is Cc1cc(C)cc(-c2cncc(CO)c2N2CCC(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is QEADHWCUTACFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16-10-17(2)12-18(11-16)21-14-25-13-19(15-28)22(21)27-8-6-20(7-9-27)26-23(29)30-24(3,4)5/h10-14,20,28H,6-9,15H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 411.55 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(3,5-dimethylphenyl)-5-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 118057666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).