3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide

C22H24N4O3 — CID 74975569

IUPAC3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)NC1(CCN(Cc3ccccc3)CC1)N2)NO
InChIInChI=1S/C22H24N4O3/c27-20(25-29)9-7-16-6-8-19-18(14-16)21(28)24-22(23-19)10-12-26(13-11-22)15-17-4-2-1-3-5-17/h1-9,14,23,29H,10-13,15H2,(H,24,28)(H,25,27)
InChIKeyYCBRAIRJUWUTGJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.35
Rot. Bonds4

About 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide

3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (PubChem CID 74975569) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
PubChem CID74975569
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)NC1(CCN(Cc3ccccc3)CC1)N2)NO
InChIInChI=1S/C22H24N4O3/c27-20(25-29)9-7-16-6-8-19-18(14-16)21(28)24-22(23-19)10-12-26(13-11-22)15-17-4-2-1-3-5-17/h1-9,14,23,29H,10-13,15H2,(H,24,28)(H,25,27)
InChIKeyYCBRAIRJUWUTGJ-UHFFFAOYSA-N
XLogP2.35
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[1'-[(4-fluorophenyl)methyl]-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 71698938
(E)-3-[4-[(E)-3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 24756555
3-[4-[3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 91415753
N-hydroxy-3-[4-oxo-1'-[(4-phenylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide;hydrochloride
CID 173032837
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
methyl (E)-3-(1'-benzyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enoate
CID 66932243
(E)-3-(1'-benzyl-8-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 87258262
(E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 51356716
(E)-3-[3-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25207656
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 25207493
(E)-3-[1'-[(3-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide
CID 87208817
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 57412108

Frequently Asked Questions

What is the IUPAC name of 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide (CID 74975569) is 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc2c(c1)C(=O)NC1(CCN(Cc3ccccc3)CC1)N2)NO.
What is the InChIKey of 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
The InChIKey is YCBRAIRJUWUTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20(25-29)9-7-16-6-8-19-18(14-16)21(28)24-22(23-19)10-12-26(13-11-22)15-17-4-2-1-3-5-17/h1-9,14,23,29H,10-13,15H2,(H,24,28)(H,25,27).
What are the key properties of 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide?
3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74975569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).