N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide

C25H30N2O2 — CID 11234697

IUPACN,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(C)c32)cc1
InChIInChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-11-9-19(10-12-20)21-17-25(13-15-26-16-14-25)29-22-8-6-7-18(3)23(21)22/h6-12,17,26H,4-5,13-16H2,1-3H3
InChIKeyNPTSNQCAQRYVHR-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.42
Rot. Bonds4

About N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide

N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide (PubChem CID 11234697) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
PubChem CID11234697
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(C)c32)cc1
InChIInChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-11-9-19(10-12-20)21-17-25(13-15-26-16-14-25)29-22-8-6-7-18(3)23(21)22/h6-12,17,26H,4-5,13-16H2,1-3H3
InChIKeyNPTSNQCAQRYVHR-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
CID 66696321
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane
CID 143304509
N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
CID 59674324
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-sulfinic acid
CID 66696440
4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674625
4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674341
N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 59674299
N,N-diethyl-4-(6'-methylsulfonylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
CID 11190573
CID 91318518
CID 91318518
N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide
CID 143642723
N,N-diethyl-4-(6-heptanoylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 58423588
N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide
CID 143304355

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide (CID 11234697) is N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(C)c32)cc1.
What is the InChIKey of N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
The InChIKey is NPTSNQCAQRYVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-11-9-19(10-12-20)21-17-25(13-15-26-16-14-25)29-22-8-6-7-18(3)23(21)22/h6-12,17,26H,4-5,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide?
N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide has a molecular weight of 390.53 g/mol, XLogP of 4.42, 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-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide is sourced from PubChem (CID 11234697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).