N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide

C22H33FN2O2 — CID 24758823

IUPACN,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide
SMILESCCN(CC)C(=O)CCCCC1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C22H33FN2O2/c1-3-25(4-2)21(26)8-6-5-7-17-16-22(11-13-24-14-12-22)27-20-10-9-18(23)15-19(17)20/h9-10,15,17,24H,3-8,11-14,16H2,1-2H3
InChIKeyMSORJKJXXGLWOL-UHFFFAOYSA-N
MW376.52 g/mol
LogP4.24
Rot. Bonds7

About N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide

N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide (PubChem CID 24758823) has the molecular formula C22H33FN2O2 and a molecular weight of 376.52 g/mol. Its IUPAC name is N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide.

Molecular Properties

Compound NameN,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide
PubChem CID24758823
Molecular FormulaC22H33FN2O2
Molecular Weight376.52 g/mol
Exact Mass376.25
IUPAC NameN,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide
SMILESCCN(CC)C(=O)CCCCC1CC2(CCNCC2)Oc2ccc(F)cc21
InChIInChI=1S/C22H33FN2O2/c1-3-25(4-2)21(26)8-6-5-7-17-16-22(11-13-24-14-12-22)27-20-10-9-18(23)15-19(17)20/h9-10,15,17,24H,3-8,11-14,16H2,1-2H3
InChIKeyMSORJKJXXGLWOL-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide?
The IUPAC name of N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide (CID 24758823) is N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide.
What is the SMILES notation for N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide?
The canonical SMILES for N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide is CCN(CC)C(=O)CCCCC1CC2(CCNCC2)Oc2ccc(F)cc21.
What is the InChIKey of N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide?
The InChIKey is MSORJKJXXGLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O2/c1-3-25(4-2)21(26)8-6-5-7-17-16-22(11-13-24-14-12-22)27-20-10-9-18(23)15-19(17)20/h9-10,15,17,24H,3-8,11-14,16H2,1-2H3.
What are the key properties of N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide?
N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide has a molecular weight of 376.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pentanamide is sourced from PubChem (CID 24758823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).