tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen

C24H38N2O2 — CID 145130471

IUPACtert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1CCC(CNC2CC23CCCC2=CC4CC4C=C23)CC1.[H][H]
InChIInChI=1S/C24H36N2O2.H2/c1-23(2,3)28-22(27)26-9-6-16(7-10-26)15-25-21-14-24(21)8-4-5-17-11-18-12-19(18)13-20(17)24;/h11,13,16,18-19,21,25H,4-10,12,14-15H2,1-3H3;1H
InChIKeyVXQBBSJJAHJNHJ-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.91
Rot. Bonds3

About tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen

tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 145130471) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen
PubChem CID145130471
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Nametert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen
SMILESCC(C)(C)OC(=O)N1CCC(CNC2CC23CCCC2=CC4CC4C=C23)CC1.[H][H]
InChIInChI=1S/C24H36N2O2.H2/c1-23(2,3)28-22(27)26-9-6-16(7-10-26)15-25-21-14-24(21)8-4-5-17-11-18-12-19(18)13-20(17)24;/h11,13,16,18-19,21,25H,4-10,12,14-15H2,1-3H3;1H
InChIKeyVXQBBSJJAHJNHJ-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen 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-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 97226565
tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103730078
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
tert-butyl 4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]piperidine-1-carboxylate
CID 104954548
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241583
tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 3-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242429
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen?
The IUPAC name of tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen (CID 145130471) is tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen is CC(C)(C)OC(=O)N1CCC(CNC2CC23CCCC2=CC4CC4C=C23)CC1.[H][H].
What is the InChIKey of tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen?
The InChIKey is VXQBBSJJAHJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2.H2/c1-23(2,3)28-22(27)26-9-6-16(7-10-26)15-25-21-14-24(21)8-4-5-17-11-18-12-19(18)13-20(17)24;/h11,13,16,18-19,21,25H,4-10,12,14-15H2,1-3H3;1H.
What are the key properties of tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen?
tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 386.58 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(spiro[1,1a,4,5,6,7a-hexahydrocyclopropa[b]naphthalene-3,2'-cyclopropane]-1'-ylamino)methyl]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 145130471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).