N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide

C25H30N2O2 — CID 11452117

IUPACN,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)cc1
InChIInChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-12-10-19(11-13-20)22-18-25(14-16-26(3)17-15-25)29-23-9-7-6-8-21(22)23/h6-13,18H,4-5,14-17H2,1-3H3
InChIKeyCGFZALLTDMGGLZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.46
Rot. Bonds4

About N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide

N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide (PubChem CID 11452117) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
PubChem CID11452117
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)cc1
InChIInChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-12-10-19(11-13-20)22-18-25(14-16-26(3)17-15-25)29-23-9-7-6-8-21(22)23/h6-13,18H,4-5,14-17H2,1-3H3
InChIKeyCGFZALLTDMGGLZ-UHFFFAOYSA-N
XLogP4.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Adl-5859
CID 11417954
Snc 80
CID 123924
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
Adl-5747
CID 76967747
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
4-(Spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254503
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
A-349821 free base
CID 9954017

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide (CID 11452117) is N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)cc1.
What is the InChIKey of N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The InChIKey is CGFZALLTDMGGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-12-10-19(11-13-20)22-18-25(14-16-26(3)17-15-25)29-23-9-7-6-8-21(22)23/h6-13,18H,4-5,14-17H2,1-3H3.
What are the key properties of N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide has a molecular weight of 390.53 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide is sourced from PubChem (CID 11452117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).