tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

C20H31N3O3 — CID 60513191

IUPACtert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCc1ccccc1NC(=O)C(C)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-14-8-6-7-9-17(14)22-18(24)15(2)23-12-10-16(11-13-23)21-19(25)26-20(3,4)5/h6-9,15-16H,10-13H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyOJBAIRIQFMNZHQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.31
Rot. Bonds4

About tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (PubChem CID 60513191) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
PubChem CID60513191
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCc1ccccc1NC(=O)C(C)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H31N3O3/c1-14-8-6-7-9-17(14)22-18(24)15(2)23-12-10-16(11-13-23)21-19(25)26-20(3,4)5/h6-9,15-16H,10-13H2,1-5H3,(H,21,25)(H,22,24)
InChIKeyOJBAIRIQFMNZHQ-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-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

tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 94147044
tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841892
tert-butyl N-[1-[1-(2-chloro-4,6-dimethylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60512452
tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60512573
tert-butyl N-[1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841773
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 129397528
tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
CID 95300418
tert-butyl N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994004
(2R)-2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 125434622
(2S)-2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 125434621
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (CID 60513191) is tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is Cc1ccccc1NC(=O)C(C)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The InChIKey is OJBAIRIQFMNZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14-8-6-7-9-17(14)22-18(24)15(2)23-12-10-16(11-13-23)21-19(25)26-20(3,4)5/h6-9,15-16H,10-13H2,1-5H3,(H,21,25)(H,22,24).
What are the key properties of tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60513191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).