4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one

C28H28N2O2 — CID 19379725

IUPAC4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C28H28N2O2/c31-27-19-23(25-13-7-8-14-26(25)29-27)20-30-17-15-24(16-18-30)32-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,24,28H,15-18,20H2,(H,29,31)
InChIKeyCZUHCTUDEHZEAN-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.30
Rot. Bonds6

About 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one

4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 19379725) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID19379725
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=c1cc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C28H28N2O2/c31-27-19-23(25-13-7-8-14-26(25)29-27)20-30-17-15-24(16-18-30)32-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,24,28H,15-18,20H2,(H,29,31)
InChIKeyCZUHCTUDEHZEAN-UHFFFAOYSA-N
XLogP5.30
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 22449877
3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 13105612
5-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-1,2-dihydropyrazol-3-one
CID 139981398
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
(3aR,7aR)-2-[(2-oxo-1H-quinolin-4-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51983943
7-amino-1-[4-(4-benzhydryloxypiperidin-1-yl)butyl]quinazoline-2,4-dione
CID 22449621
1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
CID 22989280
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
ethyl 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-2H-pyrrole-5-carboxylate
CID 161206861
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
CID 3025364
4-(3-cyclopropylpropyl)-1H-quinolin-2-one
CID 123202652
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
CID 13317108

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one (CID 19379725) is 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one is O=c1cc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c2ccccc2[nH]1.
What is the InChIKey of 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is CZUHCTUDEHZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c31-27-19-23(25-13-7-8-14-26(25)29-27)20-30-17-15-24(16-18-30)32-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,24,28H,15-18,20H2,(H,29,31).
What are the key properties of 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one?
4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 424.54 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 19379725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).