6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one

C23H28N2O — CID 13120864

IUPAC6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCCN3CCC(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C23H28N2O/c26-23-11-9-21-17-18(8-10-22(21)24-23)5-4-14-25-15-12-20(13-16-25)19-6-2-1-3-7-19/h1-3,6-8,10,17,20H,4-5,9,11-16H2,(H,24,26)
InChIKeyMVXZKCISNUNVOA-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.38
Rot. Bonds5

About 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one

6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13120864) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13120864
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCCN3CCC(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C23H28N2O/c26-23-11-9-21-17-18(8-10-22(21)24-23)5-4-14-25-15-12-20(13-16-25)19-6-2-1-3-7-19/h1-3,6-8,10,17,20H,4-5,9,11-16H2,(H,24,26)
InChIKeyMVXZKCISNUNVOA-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120821
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721
3-methyl-6-[4-(4-phenylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 21474237
5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 14819328
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 23160518
6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 23160541
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one (CID 13120864) is 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCCN3CCC(c4ccccc4)CC3)ccc2N1.
What is the InChIKey of 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MVXZKCISNUNVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23-11-9-21-17-18(8-10-22(21)24-23)5-4-14-25-15-12-20(13-16-25)19-6-2-1-3-7-19/h1-3,6-8,10,17,20H,4-5,9,11-16H2,(H,24,26).
What are the key properties of 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 348.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13120864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).