tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate

C23H34N2O3 — CID 60547812

IUPACtert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCN(C(=O)Cc1ccc2c(c1)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H34N2O3/c1-23(2,3)28-22(27)25-13-11-20(12-14-25)24(4)21(26)16-17-9-10-18-7-5-6-8-19(18)15-17/h9-10,15,20H,5-8,11-14,16H2,1-4H3
InChIKeySWCNYVSTKLHIMQ-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate

tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 60547812) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID60547812
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Nametert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCN(C(=O)Cc1ccc2c(c1)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H34N2O3/c1-23(2,3)28-22(27)25-13-11-20(12-14-25)24(4)21(26)16-17-9-10-18-7-5-6-8-19(18)15-17/h9-10,15,20H,5-8,11-14,16H2,1-4H3
InChIKeySWCNYVSTKLHIMQ-UHFFFAOYSA-N
XLogP3.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate 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 4-[[[2-(4-chlorophenyl)acetyl]-methylamino]methyl]piperidine-1-carboxylate
CID 110601429
tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl 4-[[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]methyl]piperidine-1-carboxylate;ethane
CID 142248599
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 19381592
tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 84584797
tert-butyl 4-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 91234537
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
tert-butyl 4-[[4-(dimethylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989102
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)azetidine-1-carboxylate
CID 134226495
tert-butyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 11402789

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate (CID 60547812) is tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate is CN(C(=O)Cc1ccc2c(c1)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is SWCNYVSTKLHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-23(2,3)28-22(27)25-13-11-20(12-14-25)24(4)21(26)16-17-9-10-18-7-5-6-8-19(18)15-17/h9-10,15,20H,5-8,11-14,16H2,1-4H3.
What are the key properties of tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 386.54 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 60547812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).