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

C25H38N4O3 — CID 59433622

IUPACethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC[C@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H38N4O3/c1-4-32-24(31)29-15-10-19(11-16-29)28-17-13-25(14-18-28)12-9-22(26-23(30)27(2)3)20-7-5-6-8-21(20)25/h5-8,19,22H,4,9-18H2,1-3H3,(H,26,30)/t22-/m0/s1
InChIKeyXXNLPNHGJGLDHC-QFIPXVFZSA-N
MW442.60 g/mol
LogP3.75
Rot. Bonds3

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

ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 59433622) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID59433622
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Nameethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC[C@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H38N4O3/c1-4-32-24(31)29-15-10-19(11-16-29)28-17-13-25(14-18-28)12-9-22(26-23(30)27(2)3)20-7-5-6-8-21(20)25/h5-8,19,22H,4,9-18H2,1-3H3,(H,26,30)/t22-/m0/s1
InChIKeyXXNLPNHGJGLDHC-QFIPXVFZSA-N
XLogP3.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 59433622) is ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC[C@H](NC(=O)N(C)C)c4ccccc43)CC2)CC1.
What is the InChIKey of ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is XXNLPNHGJGLDHC-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-4-32-24(31)29-15-10-19(11-16-29)28-17-13-25(14-18-28)12-9-22(26-23(30)27(2)3)20-7-5-6-8-21(20)25/h5-8,19,22H,4,9-18H2,1-3H3,(H,26,30)/t22-/m0/s1.
What are the key properties of ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 442.60 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1S)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59433622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).