tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate

C33H43N5O3 — CID 118610270

IUPACtert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(NC(=O)OC(C)(C)C)CC4)cc23)CC1
InChIInChI=1S/C33H43N5O3/c1-33(2,3)41-32(39)34-24-15-19-37(20-16-24)25-11-12-28-27(21-25)31(36-30(35-28)23-9-10-23)38-17-13-22(14-18-38)26-7-5-6-8-29(26)40-4/h5-8,11-12,21-24H,9-10,13-20H2,1-4H3,(H,34,39)
InChIKeyVPQGLTAGTRDQPK-UHFFFAOYSA-N
MW557.74 g/mol
LogP6.39
Rot. Bonds6

About tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate (PubChem CID 118610270) has the molecular formula C33H43N5O3 and a molecular weight of 557.74 g/mol. Its IUPAC name is tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate
PubChem CID118610270
Molecular FormulaC33H43N5O3
Molecular Weight557.74 g/mol
Exact Mass557.34
IUPAC Nametert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate
SMILESCOc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(NC(=O)OC(C)(C)C)CC4)cc23)CC1
InChIInChI=1S/C33H43N5O3/c1-33(2,3)41-32(39)34-24-15-19-37(20-16-24)25-11-12-28-27(21-25)31(36-30(35-28)23-9-10-23)38-17-13-22(14-18-38)26-7-5-6-8-29(26)40-4/h5-8,11-12,21-24H,9-10,13-20H2,1-4H3,(H,34,39)
InChIKeyVPQGLTAGTRDQPK-UHFFFAOYSA-N
XLogP6.39
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]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

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol
CID 118610427
N6-[2-amino-6-(2-methoxyphenyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
CID 22643219
N-[4-[[[2-(dimethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 45487503
2-cyclopropyl-N-ethyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methylquinazolin-6-amine
CID 90236942
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N,N-dimethylquinazolin-6-amine
CID 90237040
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine
CID 90237274
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 90237332
2-[[2-Cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 90237403
US10118902, Example 174
CID 118610260
US10118902, Example 18
CID 118610314
US10118902, Example 125
CID 118610338
US10118902, Example 47
CID 118610411

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate (CID 118610270) is tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate is COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(NC(=O)OC(C)(C)C)CC4)cc23)CC1.
What is the InChIKey of tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate?
The InChIKey is VPQGLTAGTRDQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O3/c1-33(2,3)41-32(39)34-24-15-19-37(20-16-24)25-11-12-28-27(21-25)31(36-30(35-28)23-9-10-23)38-17-13-22(14-18-38)26-7-5-6-8-29(26)40-4/h5-8,11-12,21-24H,9-10,13-20H2,1-4H3,(H,34,39).
What are the key properties of tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate has a molecular weight of 557.74 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 118610270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).