tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate

C21H33N3O3 — CID 113062437

IUPACtert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-16-10-13-23(14-11-16)18-6-8-19(9-7-18)24(17(2)25)15-12-22-20(26)27-21(3,4)5/h6-9,16H,10-15H2,1-5H3,(H,22,26)
InChIKeyFRDOOGLOLQSVGU-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate

tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate (PubChem CID 113062437) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate
PubChem CID113062437
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Nametert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-16-10-13-23(14-11-16)18-6-8-19(9-7-18)24(17(2)25)15-12-22-20(26)27-21(3,4)5/h6-9,16H,10-15H2,1-5H3,(H,22,26)
InChIKeyFRDOOGLOLQSVGU-UHFFFAOYSA-N
XLogP3.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]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

N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
CID 113062414
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]thiophene-2-carboxamide
CID 113062423
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
tert-butyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060024
ethyl 4-[acetyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]benzoate
CID 113063271
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)acetamide
CID 113177196
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate (CID 113062437) is tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate is CC(=O)N(CCNC(=O)OC(C)(C)C)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate?
The InChIKey is FRDOOGLOLQSVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16-10-13-23(14-11-16)18-6-8-19(9-7-18)24(17(2)25)15-12-22-20(26)27-21(3,4)5/h6-9,16H,10-15H2,1-5H3,(H,22,26).
What are the key properties of tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate?
tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate has a molecular weight of 375.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate is sourced from PubChem (CID 113062437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).