N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide

C23H23N3O3 — CID 166410535

IUPACN-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)c1
InChIInChI=1S/C23H23N3O3/c1-2-20(27)24-18-8-5-7-16(14-18)21(28)26-12-10-23(11-13-26)15-17-6-3-4-9-19(17)25-22(23)29/h2-9,14H,1,10-13,15H2,(H,24,27)(H,25,29)
InChIKeyCMPGXFWPVXQXGJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.23
Rot. Bonds3

About N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide

N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide (PubChem CID 166410535) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide
PubChem CID166410535
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)c1
InChIInChI=1S/C23H23N3O3/c1-2-20(27)24-18-8-5-7-16(14-18)21(28)26-12-10-23(11-13-26)15-17-6-3-4-9-19(17)25-22(23)29/h2-9,14H,1,10-13,15H2,(H,24,27)(H,25,29)
InChIKeyCMPGXFWPVXQXGJ-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134791811
N-[3-(2,2-dimethyl-3-oxo-1-oxa-4,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide
CID 166410813
N-[3-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166412079
N-[3-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166407190
N-[3-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166408784
N-[3-(6,6-difluoro-2-oxa-9-azaspiro[4.5]decane-9-carbonyl)phenyl]prop-2-enamide
CID 166408503
N-[3-[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166407336
methyl 2-[3-(prop-2-enoylamino)benzoyl]-1,3-dihydroisoindole-4-carboxylate
CID 166420450
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-3-(prop-2-enoylamino)benzamide
CID 166410658
N-(2,2'-dioxospiro[1,4-dihydroquinoline-3,3'-1H-indole]-6'-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 176914754

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide (CID 166410535) is N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(C(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)c1.
What is the InChIKey of N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide?
The InChIKey is CMPGXFWPVXQXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-20(27)24-18-8-5-7-16(14-18)21(28)26-12-10-23(11-13-26)15-17-6-3-4-9-19(17)25-22(23)29/h2-9,14H,1,10-13,15H2,(H,24,27)(H,25,29).
What are the key properties of N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide?
N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide has a molecular weight of 389.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 166410535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).