methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C24H36N4O3 — CID 59433687

IUPACmethyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H36N4O3/c1-26(2)22(29)25-21-8-11-24(20-7-5-4-6-19(20)21)12-16-27(17-13-24)18-9-14-28(15-10-18)23(30)31-3/h4-7,18,21H,8-17H2,1-3H3,(H,25,29)/t21-/m1/s1
InChIKeyORPVDVJUZOZFTH-OAQYLSRUSA-N
MW428.58 g/mol
LogP3.36
Rot. Bonds2

About methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate

methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 59433687) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID59433687
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Namemethyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H36N4O3/c1-26(2)22(29)25-21-8-11-24(20-7-5-4-6-19(20)21)12-16-27(17-13-24)18-9-14-28(15-10-18)23(30)31-3/h4-7,18,21H,8-17H2,1-3H3,(H,25,29)/t21-/m1/s1
InChIKeyORPVDVJUZOZFTH-OAQYLSRUSA-N
XLogP3.36
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 59433687) is methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is COC(=O)N1CCC(N2CCC3(CC[C@@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1.
What is the InChIKey of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is ORPVDVJUZOZFTH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-26(2)22(29)25-21-8-11-24(20-7-5-4-6-19(20)21)12-16-27(17-13-24)18-9-14-28(15-10-18)23(30)31-3/h4-7,18,21H,8-17H2,1-3H3,(H,25,29)/t21-/m1/s1.
What are the key properties of methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 428.58 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59433687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).