N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide

C24H28N2O2 — CID 11428837

IUPACN,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17,25H,3-4,13-16H2,1-2H3
InChIKeyWZZXJQIDLWOBDU-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.11
Rot. Bonds4

About N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide

N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide (PubChem CID 11428837) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
PubChem CID11428837
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17,25H,3-4,13-16H2,1-2H3
InChIKeyWZZXJQIDLWOBDU-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The IUPAC name of N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide (CID 11428837) is N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide.
What is the SMILES notation for N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The canonical SMILES for N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The InChIKey is WZZXJQIDLWOBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17,25H,3-4,13-16H2,1-2H3.
What are the key properties of N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide has a molecular weight of 376.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide is sourced from PubChem (CID 11428837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).