tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate

C36H44N2O4 — CID 20607379

IUPACtert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate
SMILESCOc1ccc(C2(C(=O)N3CCC(CN(CCc4ccccc4)C(=O)OC(C)(C)C)(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C36H44N2O4/c1-34(2,3)42-33(40)38(24-19-28-11-7-5-8-12-28)27-35(29-13-9-6-10-14-29)22-25-37(26-23-35)32(39)36(20-21-36)30-15-17-31(41-4)18-16-30/h5-18H,19-27H2,1-4H3
InChIKeyAEBLPZAGRVMBPF-UHFFFAOYSA-N
MW568.76 g/mol
LogP6.77
Rot. Bonds9

About tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate

tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate (PubChem CID 20607379) has the molecular formula C36H44N2O4 and a molecular weight of 568.76 g/mol. Its IUPAC name is tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate
PubChem CID20607379
Molecular FormulaC36H44N2O4
Molecular Weight568.76 g/mol
Exact Mass568.33
IUPAC Nametert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate
SMILESCOc1ccc(C2(C(=O)N3CCC(CN(CCc4ccccc4)C(=O)OC(C)(C)C)(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C36H44N2O4/c1-34(2,3)42-33(40)38(24-19-28-11-7-5-8-12-28)27-35(29-13-9-6-10-14-29)22-25-37(26-23-35)32(39)36(20-21-36)30-15-17-31(41-4)18-16-30/h5-18H,19-27H2,1-4H3
InChIKeyAEBLPZAGRVMBPF-UHFFFAOYSA-N
XLogP6.77
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate 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-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]carbamate
CID 70033516
butan-2-yl N-[[1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate
CID 69418466
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-[(4-phenylpiperidin-4-yl)methyl]carbamate
CID 142145885
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 154427186
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 124994936
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857
tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 10742955
tert-butyl N-[(S)-(4-methoxyphenyl)-sulfamoylmethyl]-N-(3-phenylpropyl)carbamate
CID 70037790
tert-butyl 4-(morpholine-4-carbonyl)-4-phenylpiperidine-1-carboxylate
CID 67341747
tert-butyl N-(3-iodopropyl)-N-(2-phenylethyl)carbamate
CID 167461030

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate (CID 20607379) is tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate is COc1ccc(C2(C(=O)N3CCC(CN(CCc4ccccc4)C(=O)OC(C)(C)C)(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate?
The InChIKey is AEBLPZAGRVMBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N2O4/c1-34(2,3)42-33(40)38(24-19-28-11-7-5-8-12-28)27-35(29-13-9-6-10-14-29)22-25-37(26-23-35)32(39)36(20-21-36)30-15-17-31(41-4)18-16-30/h5-18H,19-27H2,1-4H3.
What are the key properties of tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate?
tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate has a molecular weight of 568.76 g/mol, XLogP of 6.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidin-4-yl]methyl]-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 20607379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).