tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate

C25H32N2O5 — CID 163253291

IUPACtert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
SMILESCOc1cc(COc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(C)=O
InChIInChI=1S/C25H32N2O5/c1-17(28)20-10-9-18(15-22(20)30-5)16-31-23-8-6-7-21(26-23)19-11-13-27(14-12-19)24(29)32-25(2,3)4/h6-10,15,19H,11-14,16H2,1-5H3
InChIKeyDEQKYWNPVPDGBM-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.99
Rot. Bonds6

About tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 163253291) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
PubChem CID163253291
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Nametert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
SMILESCOc1cc(COc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(C)=O
InChIInChI=1S/C25H32N2O5/c1-17(28)20-10-9-18(15-22(20)30-5)16-31-23-8-6-7-21(26-23)19-11-13-27(14-12-19)24(29)32-25(2,3)4/h6-10,15,19H,11-14,16H2,1-5H3
InChIKeyDEQKYWNPVPDGBM-UHFFFAOYSA-N
XLogP4.99
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253222
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 175721595
4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
CID 175721656
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
(3R,4S)-4-[6-[(3,5-dimethoxyphenyl)methoxy]-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 58006070
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate
CID 140923020
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[1-(6-phenylmethoxypyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 59178855
tert-butyl 2H-pyridine-1-carboxylate;1-[3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]ethanone
CID 175721858
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate (CID 163253291) is tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate is COc1cc(COc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1C(C)=O.
What is the InChIKey of tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is DEQKYWNPVPDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-17(28)20-10-9-18(15-22(20)30-5)16-31-23-8-6-7-21(26-23)19-11-13-27(14-12-19)24(29)32-25(2,3)4/h6-10,15,19H,11-14,16H2,1-5H3.
What are the key properties of tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(4-acetyl-3-methoxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 163253291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).