1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C24H27N3O2 — CID 46950624

IUPAC1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)Nc2ccccc21
InChIInChI=1S/C24H27N3O2/c28-21-19-10-4-5-11-20(19)25-24(26-21)14-16-27(17-15-24)22(29)23(12-6-7-13-23)18-8-2-1-3-9-18/h1-5,8-11,25H,6-7,12-17H2,(H,26,28)
InChIKeyMPHRUVDRDMSBJG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.67
Rot. Bonds2

About 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46950624) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46950624
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)Nc2ccccc21
InChIInChI=1S/C24H27N3O2/c28-21-19-10-4-5-11-20(19)25-24(26-21)14-16-27(17-15-24)22(29)23(12-6-7-13-23)18-8-2-1-3-9-18/h1-5,8-11,25H,6-7,12-17H2,(H,26,28)
InChIKeyMPHRUVDRDMSBJG-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
1'-(naphthalene-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077696
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
1'-(4-nitrobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169377
(5S)-7-(1-phenylcyclopentanecarbonyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 164635054
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46952531
(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 151183103
1'-(1,3-benzodioxole-5-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169385
1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16672353
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735

Frequently Asked Questions

What is the IUPAC name of 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46950624) is 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)Nc2ccccc21.
What is the InChIKey of 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is MPHRUVDRDMSBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-21-19-10-4-5-11-20(19)25-24(26-21)14-16-27(17-15-24)22(29)23(12-6-7-13-23)18-8-2-1-3-9-18/h1-5,8-11,25H,6-7,12-17H2,(H,26,28).
What are the key properties of 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 389.50 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46950624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).