3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one

C22H25N3O — CID 119136081

IUPAC3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c26-22-19(14-18-8-4-5-9-21(18)24-22)15-23-20-10-12-25(13-11-20)16-17-6-2-1-3-7-17/h1-9,14,20,23H,10-13,15-16H2,(H,24,26)
InChIKeyIYKOZUBBVFXOSU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.28
Rot. Bonds5

About 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one

3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 119136081) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID119136081
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c26-22-19(14-18-8-4-5-9-21(18)24-22)15-23-20-10-12-25(13-11-20)16-17-6-2-1-3-7-17/h1-9,14,20,23H,10-13,15-16H2,(H,24,26)
InChIKeyIYKOZUBBVFXOSU-UHFFFAOYSA-N
XLogP3.28
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473
1-benzyl-N-[(3-nitrophenyl)methyl]piperidin-4-amine
CID 17159259
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
CID 82712733
3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 103680519
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one (CID 119136081) is 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is IYKOZUBBVFXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22-19(14-18-8-4-5-9-21(18)24-22)15-23-20-10-12-25(13-11-20)16-17-6-2-1-3-7-17/h1-9,14,20,23H,10-13,15-16H2,(H,24,26).
What are the key properties of 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one?
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 347.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 119136081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).