N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide

C24H28N2O2 — CID 108730414

IUPACN,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
SMILESCCN(CC)C(=O)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C24H28N2O2/c1-3-25(4-2)23(27)26-16-14-24(15-17-26)13-12-21-18-20(10-11-22(21)28-24)19-8-6-5-7-9-19/h5-13,18H,3-4,14-17H2,1-2H3
InChIKeyNKVOYVGMOLPGOU-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.06
Rot. Bonds3

About N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide

N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 108730414) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID108730414
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
SMILESCCN(CC)C(=O)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C24H28N2O2/c1-3-25(4-2)23(27)26-16-14-24(15-17-26)13-12-21-18-20(10-11-22(21)28-24)19-8-6-5-7-9-19/h5-13,18H,3-4,14-17H2,1-2H3
InChIKeyNKVOYVGMOLPGOU-UHFFFAOYSA-N
XLogP5.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide (CID 108730414) is N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide is CCN(CC)C(=O)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1.
What is the InChIKey of N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is NKVOYVGMOLPGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-25(4-2)23(27)26-16-14-24(15-17-26)13-12-21-18-20(10-11-22(21)28-24)19-8-6-5-7-9-19/h5-13,18H,3-4,14-17H2,1-2H3.
What are the key properties of N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide?
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 108730414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).