ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate

C23H29N3O2 — CID 25013135

IUPACethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC=C(C#N)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H29N3O2/c1-2-28-22(27)26-13-8-19(9-14-26)25-15-11-23(12-16-25)10-7-18(17-24)20-5-3-4-6-21(20)23/h3-7,19H,2,8-16H2,1H3
InChIKeyXFPCEEZFNXPKEB-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.95
Rot. Bonds2

About ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate

ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate (PubChem CID 25013135) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate
PubChem CID25013135
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Nameethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC3(CC=C(C#N)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H29N3O2/c1-2-28-22(27)26-13-8-19(9-14-26)25-15-11-23(12-16-25)10-7-18(17-24)20-5-3-4-6-21(20)23/h3-7,19H,2,8-16H2,1H3
InChIKeyXFPCEEZFNXPKEB-UHFFFAOYSA-N
XLogP3.95
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 89136835
ethyl 4-(2-pentanoylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 58089527
butyl 1'-(1-ethoxycarbonylpiperidin-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 11993100
ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433197
ethyl 4-[(1S)-1-(methoxycarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158796249
ethyl 4-[4-(benzenesulfonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 1151828
ethyl 4-[1-(propan-2-ylcarbamoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158646757
ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 58815543
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
but-2-ynyl 4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433883

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate (CID 25013135) is ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC3(CC=C(C#N)c4ccccc43)CC2)CC1.
What is the InChIKey of ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
The InChIKey is XFPCEEZFNXPKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-28-22(27)26-13-8-19(9-14-26)25-15-11-23(12-16-25)10-7-18(17-24)20-5-3-4-6-21(20)23/h3-7,19H,2,8-16H2,1H3.
What are the key properties of ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate?
ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate is sourced from PubChem (CID 25013135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).