tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C28H41N3O5 — CID 129104932

IUPACtert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc(C3=CCC(C(=O)N4CCC(O)CC4)CC3)nc2)CC1
InChIInChI=1S/C28H41N3O5/c1-28(2,3)36-27(34)31-14-10-20(11-15-31)19-35-24-8-9-25(29-18-24)21-4-6-22(7-5-21)26(33)30-16-12-23(32)13-17-30/h4,8-9,18,20,22-23,32H,5-7,10-17,19H2,1-3H3
InChIKeyKEPHWRUDXFGYGI-UHFFFAOYSA-N
MW499.65 g/mol
LogP4.27
Rot. Bonds5

About tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 129104932) has the molecular formula C28H41N3O5 and a molecular weight of 499.65 g/mol. Its IUPAC name is tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID129104932
Molecular FormulaC28H41N3O5
Molecular Weight499.65 g/mol
Exact Mass499.30
IUPAC Nametert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc(C3=CCC(C(=O)N4CCC(O)CC4)CC3)nc2)CC1
InChIInChI=1S/C28H41N3O5/c1-28(2,3)36-27(34)31-14-10-20(11-15-31)19-35-24-8-9-25(29-18-24)21-4-6-22(7-5-21)26(33)30-16-12-23(32)13-17-30/h4,8-9,18,20,22-23,32H,5-7,10-17,19H2,1-3H3
InChIKeyKEPHWRUDXFGYGI-UHFFFAOYSA-N
XLogP4.27
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[6-[4-[(1-hydroxy-3-nitrosopropan-2-yl)carbamoyl]cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 126662117
tert-butyl 4-[[4-[4-(3-methoxyiminoazetidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 123293199
tert-butyl 4-[[5-[4-(3-methylpyrrolidine-1-carbonyl)cyclohexen-1-yl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 144954215
tert-butyl 4-[[4-[4-[bis(2-hydroxyethyl)carbamoyl]cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 118493329
tert-butyl 4-[[2-fluoro-4-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 126640250
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
tert-butyl 4-[[6-fluoro-4-[4-(3-hydroxypyrrolidine-1-carbonyl)cyclohexen-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]oxymethyl]piperidine-1-carboxylate
CID 123612827
tert-butyl 4-[[6-(2-fluoro-6-methyl-3-pyridinyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 66673220
N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
CID 126662114
tert-butyl 3-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 24902735
4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 146418217
tert-butyl 4-[[4-(5-methylsulfonylpyrazin-2-yl)cyclohex-3-en-1-yl]oxymethyl]piperidine-1-carboxylate
CID 66556803

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 129104932) is tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COc2ccc(C3=CCC(C(=O)N4CCC(O)CC4)CC3)nc2)CC1.
What is the InChIKey of tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is KEPHWRUDXFGYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O5/c1-28(2,3)36-27(34)31-14-10-20(11-15-31)19-35-24-8-9-25(29-18-24)21-4-6-22(7-5-21)26(33)30-16-12-23(32)13-17-30/h4,8-9,18,20,22-23,32H,5-7,10-17,19H2,1-3H3.
What are the key properties of tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 499.65 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 129104932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).