4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide

C29H35ClN4O4 — CID 143820078

IUPAC4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(Oc2ccc(C)cc2[C@H]2NC(=O)CCC23C(=O)Nc2cc(Cl)ccc23)CC1
InChIInChI=1S/C29H35ClN4O4/c1-4-33(5-2)28(37)34-14-11-20(12-15-34)38-24-9-6-18(3)16-21(24)26-29(13-10-25(35)32-26)22-8-7-19(30)17-23(22)31-27(29)36/h6-9,16-17,20,26H,4-5,10-15H2,1-3H3,(H,31,36)(H,32,35)/t26-,29?/m1/s1
InChIKeyMEHMBYXVVFTRGV-QZWVJJBASA-N
MW539.08 g/mol
LogP4.79
Rot. Bonds5

About 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide

4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide (PubChem CID 143820078) has the molecular formula C29H35ClN4O4 and a molecular weight of 539.08 g/mol. Its IUPAC name is 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide
PubChem CID143820078
Molecular FormulaC29H35ClN4O4
Molecular Weight539.08 g/mol
Exact Mass538.23
IUPAC Name4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(Oc2ccc(C)cc2[C@H]2NC(=O)CCC23C(=O)Nc2cc(Cl)ccc23)CC1
InChIInChI=1S/C29H35ClN4O4/c1-4-33(5-2)28(37)34-14-11-20(12-15-34)38-24-9-6-18(3)16-21(24)26-29(13-10-25(35)32-26)22-8-7-19(30)17-23(22)31-27(29)36/h6-9,16-17,20,26H,4-5,10-15H2,1-3H3,(H,31,36)(H,32,35)/t26-,29?/m1/s1
InChIKeyMEHMBYXVVFTRGV-QZWVJJBASA-N
XLogP4.79
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.08
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide with MolForge

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Related Compounds

(3R,6'R)-6-chloro-6'-[2-(2-hydroxyethoxy)-5-methylphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-chloro-3-methylbenzene;ethane
CID 143819943
(3R,6'R)-6-chloro-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538298
4'-[2-(1-acetylpiperidin-4-yl)oxy-5-bromophenyl]-6-chloro-6'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 77285149
chlorobenzene;(3R,6'R)-6-chloro-6'-(2,3-dimethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538505
6'-[2-(1-acetylpiperidin-4-yl)oxy-5-ethynylphenyl]-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 74931510
4-[4-bromo-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide
CID 66641102
(3R,3'R,6'S)-6-chloro-3'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[5-ethynyl-2-(1-methylpiperidin-4-yl)oxyphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 173005103
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143820044
(3R,6'S)-6'-[3-bromo-2-fluoro-6-(2-hydroxyethoxy)phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143538231
tert-butyl 4-[4-bromo-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]piperidine-1-carboxylate
CID 66640665
(3R,6'R)-6'-[5-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]-6-chlorospiro[1H-indole-3,5'-piperidine]-2,2'-dione;chlorobenzene
CID 143820043
chlorobenzene;(3R)-6-chloro-6'-pentan-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538570

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide (CID 143820078) is 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(Oc2ccc(C)cc2[C@H]2NC(=O)CCC23C(=O)Nc2cc(Cl)ccc23)CC1.
What is the InChIKey of 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide?
The InChIKey is MEHMBYXVVFTRGV-QZWVJJBASA-N. The full InChI is InChI=1S/C29H35ClN4O4/c1-4-33(5-2)28(37)34-14-11-20(12-15-34)38-24-9-6-18(3)16-21(24)26-29(13-10-25(35)32-26)22-8-7-19(30)17-23(22)31-27(29)36/h6-9,16-17,20,26H,4-5,10-15H2,1-3H3,(H,31,36)(H,32,35)/t26-,29?/m1/s1.
What are the key properties of 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide?
4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide has a molecular weight of 539.08 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2'R)-6-chloro-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-4-methylphenoxy]-N,N-diethylpiperidine-1-carboxamide is sourced from PubChem (CID 143820078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).