N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide

C29H37N3O2 — CID 143304355

IUPACN,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)OC3=CC=CCC(N4CCCC4)=C32)cc1
InChIInChI=1S/C29H37N3O2/c1-3-31(4-2)28(33)23-13-11-22(12-14-23)24-21-29(15-17-30-18-16-29)34-26-10-6-5-9-25(27(24)26)32-19-7-8-20-32/h5-6,10-14,21,30H,3-4,7-9,15-20H2,1-2H3
InChIKeyHMMJOEXLUYBDLP-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.90
Rot. Bonds5

About N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide

N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide (PubChem CID 143304355) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide
PubChem CID143304355
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC NameN,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)OC3=CC=CCC(N4CCCC4)=C32)cc1
InChIInChI=1S/C29H37N3O2/c1-3-31(4-2)28(33)23-13-11-22(12-14-23)24-21-29(15-17-30-18-16-29)34-26-10-6-5-9-25(27(24)26)32-19-7-8-20-32/h5-6,10-14,21,30H,3-4,7-9,15-20H2,1-2H3
InChIKeyHMMJOEXLUYBDLP-UHFFFAOYSA-N
XLogP4.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 11234697
4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674625
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
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
4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674341
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
N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide
CID 143642723
CID 91318518
CID 91318518
N-ethyl-N-[3-(methylamino)propyl]-4-[(3Z)-2-methylidene-3-prop-2-enylidene-1-oxa-9-azaspiro[5.5]undec-4-en-4-yl]benzamide
CID 143304208

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide (CID 143304355) is N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)OC3=CC=CCC(N4CCCC4)=C32)cc1.
What is the InChIKey of N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide?
The InChIKey is HMMJOEXLUYBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-3-31(4-2)28(33)23-13-11-22(12-14-23)24-21-29(15-17-30-18-16-29)34-26-10-6-5-9-25(27(24)26)32-19-7-8-20-32/h5-6,10-14,21,30H,3-4,7-9,15-20H2,1-2H3.
What are the key properties of N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide?
N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide has a molecular weight of 459.63 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-pyrrolidin-1-ylspiro[6H-cyclohepta[b]pyran-2,4'-piperidine]-4-yl)benzamide is sourced from PubChem (CID 143304355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).