1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide

C29H26N4O4 — CID 176914765

IUPAC1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)NC(=O)C21Cc2ccccc2NC1=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H26N4O4/c34-25(18-12-14-33(15-13-18)26(35)19-6-2-1-3-7-19)30-21-10-11-22-24(16-21)32-28(37)29(22)17-20-8-4-5-9-23(20)31-27(29)36/h1-11,16,18H,12-15,17H2,(H,30,34)(H,31,36)(H,32,37)
InChIKeyUGLFMEWCMWHHON-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.56
Rot. Bonds3

About 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide

1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide (PubChem CID 176914765) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide
PubChem CID176914765
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)NC(=O)C21Cc2ccccc2NC1=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C29H26N4O4/c34-25(18-12-14-33(15-13-18)26(35)19-6-2-1-3-7-19)30-21-10-11-22-24(16-21)32-28(37)29(22)17-20-8-4-5-9-23(20)31-27(29)36/h1-11,16,18H,12-15,17H2,(H,30,34)(H,31,36)(H,32,37)
InChIKeyUGLFMEWCMWHHON-UHFFFAOYSA-N
XLogP3.56
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 176914754
N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
CID 176914766
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-4-carboxamide;hydrochloride
CID 119516000
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide (CID 176914765) is 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)NC(=O)C21Cc2ccccc2NC1=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide?
The InChIKey is UGLFMEWCMWHHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c34-25(18-12-14-33(15-13-18)26(35)19-6-2-1-3-7-19)30-21-10-11-22-24(16-21)32-28(37)29(22)17-20-8-4-5-9-23(20)31-27(29)36/h1-11,16,18H,12-15,17H2,(H,30,34)(H,31,36)(H,32,37).
What are the key properties of 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide?
1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)piperidine-4-carboxamide is sourced from PubChem (CID 176914765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).