tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate

C20H34N2O3 — CID 86953035

IUPACtert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate
SMILESCC1CCC(=CC(=O)N2CCCC(CNC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H34N2O3/c1-15-7-9-16(10-8-15)12-18(23)22-11-5-6-17(14-22)13-21-19(24)25-20(2,3)4/h12,15,17H,5-11,13-14H2,1-4H3,(H,21,24)/b16-12-
InChIKeySIPOFEUXUWZSEH-VBKFSLOCSA-N
MW350.50 g/mol
LogP3.89
Rot. Bonds3

About tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate

tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate (PubChem CID 86953035) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate
PubChem CID86953035
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Nametert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate
SMILESCC1CCC(=CC(=O)N2CCCC(CNC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C20H34N2O3/c1-15-7-9-16(10-8-15)12-18(23)22-11-5-6-17(14-22)13-21-19(24)25-20(2,3)4/h12,15,17H,5-11,13-14H2,1-4H3,(H,21,24)/b16-12-
InChIKeySIPOFEUXUWZSEH-VBKFSLOCSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
tert-butyl N-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]carbamate
CID 178119540
tert-butyl N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007691
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 170984745
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94824268
tert-butyl N-[[(3R)-1-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidin-3-yl]methyl]carbamate
CID 94780613
tert-butyl N-[[1-[3-(4-chlorophenyl)propanoyl]piperidin-3-yl]methyl]carbamate
CID 23590478
tert-butyl N-[2-[4-[[(2-cyclopentylideneacetyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916688
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate (CID 86953035) is tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate is CC1CCC(=CC(=O)N2CCCC(CNC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate?
The InChIKey is SIPOFEUXUWZSEH-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-15-7-9-16(10-8-15)12-18(23)22-11-5-6-17(14-22)13-21-19(24)25-20(2,3)4/h12,15,17H,5-11,13-14H2,1-4H3,(H,21,24)/b16-12-.
What are the key properties of tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate has a molecular weight of 350.50 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 86953035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).