tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate

C23H34N2O2 — CID 122463378

IUPACtert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CNC2CC23CCCc2ccccc23)C1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-13-7-8-17(16-25)15-24-20-14-23(20)12-6-10-18-9-4-5-11-19(18)23/h4-5,9,11,17,20,24H,6-8,10,12-16H2,1-3H3
InChIKeyPTNWKYJWMWLXON-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 122463378) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
PubChem CID122463378
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Nametert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CNC2CC23CCCc2ccccc23)C1
InChIInChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-13-7-8-17(16-25)15-24-20-14-23(20)12-6-10-18-9-4-5-11-19(18)23/h4-5,9,11,17,20,24H,6-8,10,12-16H2,1-3H3
InChIKeyPTNWKYJWMWLXON-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]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

2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 44522207
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
tert-Butyl (cis-4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)carbamate
CID 72735990
tert-Butyl (trans-4-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)cyclohexyl)carbamate
CID 72736379
Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
CID 10565452
tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate
CID 53320210
tert-butyl N-[3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propyl]carbamate
CID 53321313

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate (CID 122463378) is tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CNC2CC23CCCc2ccccc23)C1.
What is the InChIKey of tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is PTNWKYJWMWLXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-22(2,3)27-21(26)25-13-7-8-17(16-25)15-24-20-14-23(20)12-6-10-18-9-4-5-11-19(18)23/h4-5,9,11,17,20,24H,6-8,10,12-16H2,1-3H3.
What are the key properties of tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 370.54 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 122463378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).