tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate

C26H40N2O4 — CID 142446347

IUPACtert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
SMILESCOc1ccc(C2CCN(C(=O)C3CCC(CN(C)C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C26H40N2O4/c1-26(2,3)32-25(30)27(4)18-19-6-8-22(9-7-19)24(29)28-16-14-21(15-17-28)20-10-12-23(31-5)13-11-20/h10-13,19,21-22H,6-9,14-18H2,1-5H3
InChIKeyUZXAQCZQBCORHU-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.07
Rot. Bonds5

About tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate

tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate (PubChem CID 142446347) has the molecular formula C26H40N2O4 and a molecular weight of 444.62 g/mol. Its IUPAC name is tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
PubChem CID142446347
Molecular FormulaC26H40N2O4
Molecular Weight444.62 g/mol
Exact Mass444.30
IUPAC Nametert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
SMILESCOc1ccc(C2CCN(C(=O)C3CCC(CN(C)C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C26H40N2O4/c1-26(2,3)32-25(30)27(4)18-19-6-8-22(9-7-19)24(29)28-16-14-21(15-17-28)20-10-12-23(31-5)13-11-20/h10-13,19,21-22H,6-9,14-18H2,1-5H3
InChIKeyUZXAQCZQBCORHU-UHFFFAOYSA-N
XLogP5.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-[[4-[4-(4-nitrophenyl)piperidine-1-carbonyl]cyclohexyl]methyl]carbamate
CID 142446210
tert-butyl N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-N-methylcarbamate
CID 111732085
tert-butyl N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-N-methylcarbamate;hydroiodide
CID 111732084
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
tert-butyl N-methyl-N-[[4-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)cyclohexyl]methyl]carbamate;methylperoxymethane
CID 142611114
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
tert-butyl N-[[1-[3-(2-methoxyphenyl)but-2-enoyl]piperidin-4-yl]methyl]-N-methylcarbamate
CID 72686727
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate (CID 142446347) is tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate is COc1ccc(C2CCN(C(=O)C3CCC(CN(C)C(=O)OC(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
The InChIKey is UZXAQCZQBCORHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O4/c1-26(2,3)32-25(30)27(4)18-19-6-8-22(9-7-19)24(29)28-16-14-21(15-17-28)20-10-12-23(31-5)13-11-20/h10-13,19,21-22H,6-9,14-18H2,1-5H3.
What are the key properties of tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?
tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate has a molecular weight of 444.62 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 142446347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).