N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide

C25H31FN2O2 — CID 11955861

IUPACN,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(F)cc32)c(O)c1
InChIInChI=1S/C25H31FN2O2/c1-3-28(4-2)24(30)17-6-8-20(23(29)13-17)22-16-25(9-11-27-12-10-25)15-18-5-7-19(26)14-21(18)22/h5-8,13-14,22,27,29H,3-4,9-12,15-16H2,1-2H3
InChIKeyCMRZANYGCFTIQJ-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.46
Rot. Bonds4

About N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide

N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide (PubChem CID 11955861) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide
PubChem CID11955861
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC NameN,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(F)cc32)c(O)c1
InChIInChI=1S/C25H31FN2O2/c1-3-28(4-2)24(30)17-6-8-20(23(29)13-17)22-16-25(9-11-27-12-10-25)15-18-5-7-19(26)14-21(18)22/h5-8,13-14,22,27,29H,3-4,9-12,15-16H2,1-2H3
InChIKeyCMRZANYGCFTIQJ-UHFFFAOYSA-N
XLogP4.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide?
The IUPAC name of N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide (CID 11955861) is N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide.
What is the SMILES notation for N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide?
The canonical SMILES for N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide is CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(F)cc32)c(O)c1.
What is the InChIKey of N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide?
The InChIKey is CMRZANYGCFTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-3-28(4-2)24(30)17-6-8-20(23(29)13-17)22-16-25(9-11-27-12-10-25)15-18-5-7-19(26)14-21(18)22/h5-8,13-14,22,27,29H,3-4,9-12,15-16H2,1-2H3.
What are the key properties of N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide?
N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide has a molecular weight of 410.53 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(7-fluorospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-3-hydroxybenzamide is sourced from PubChem (CID 11955861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).