N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide

C30H39N3O2 — CID 143642723

IUPACN,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide
SMILESC=C(NCC(C)C)c1ccc2c(c1)OC1(C=C2c2ccc(C(=O)N(CC)CC)cc2)CCNCC1
InChIInChI=1S/C30H39N3O2/c1-6-33(7-2)29(34)24-10-8-23(9-11-24)27-19-30(14-16-31-17-15-30)35-28-18-25(12-13-26(27)28)22(5)32-20-21(3)4/h8-13,18-19,21,31-32H,5-7,14-17,20H2,1-4H3
InChIKeyMABNAAGQEMBFDJ-UHFFFAOYSA-N
MW473.66 g/mol
LogP5.33
Rot. Bonds8

About N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide

N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide (PubChem CID 143642723) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide
PubChem CID143642723
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC NameN,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide
SMILESC=C(NCC(C)C)c1ccc2c(c1)OC1(C=C2c2ccc(C(=O)N(CC)CC)cc2)CCNCC1
InChIInChI=1S/C30H39N3O2/c1-6-33(7-2)29(34)24-10-8-23(9-11-24)27-19-30(14-16-31-17-15-30)35-28-18-25(12-13-26(27)28)22(5)32-20-21(3)4/h8-13,18-19,21,31-32H,5-7,14-17,20H2,1-4H3
InChIKeyMABNAAGQEMBFDJ-UHFFFAOYSA-N
XLogP5.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674341
4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674625
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane
CID 143304509
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-sulfinic acid
CID 66696440
N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
CID 59674324
N,N-diethyl-4-(6-heptanoylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 58423588
N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 11234697
N,N-diethyl-4-(6'-methylsulfonylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
CID 11190573
N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 59674299
CID 91318518
CID 91318518
4-[4-(diethylcarbamoyl)phenyl]-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-7-carboxylic acid
CID 59674413
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-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide (CID 143642723) is N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide is C=C(NCC(C)C)c1ccc2c(c1)OC1(C=C2c2ccc(C(=O)N(CC)CC)cc2)CCNCC1.
What is the InChIKey of N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
The InChIKey is MABNAAGQEMBFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-6-33(7-2)29(34)24-10-8-23(9-11-24)27-19-30(14-16-31-17-15-30)35-28-18-25(12-13-26(27)28)22(5)32-20-21(3)4/h8-13,18-19,21,31-32H,5-7,14-17,20H2,1-4H3.
What are the key properties of N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide?
N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide has a molecular weight of 473.66 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide is sourced from PubChem (CID 143642723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).