2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one

C20H22N2O2S — CID 97155043

IUPAC2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCC([C@@H](O)c3cccs3)CC2)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2S/c23-18-12-15(21-17-5-2-1-4-16(17)18)13-22-9-7-14(8-10-22)20(24)19-6-3-11-25-19/h1-6,11-12,14,20,24H,7-10,13H2,(H,21,23)/t20-/m1/s1
InChIKeyBBMUDYAMNSDXTN-HXUWFJFHSA-N
MW354.48 g/mol
LogP3.54
Rot. Bonds4

About 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one

2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 97155043) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID97155043
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCC([C@@H](O)c3cccs3)CC2)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2S/c23-18-12-15(21-17-5-2-1-4-16(17)18)13-22-9-7-14(8-10-22)20(24)19-6-3-11-25-19/h1-6,11-12,14,20,24H,7-10,13H2,(H,21,23)/t20-/m1/s1
InChIKeyBBMUDYAMNSDXTN-HXUWFJFHSA-N
XLogP3.54
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135106200
2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 166334205
1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 74233473
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 155911602
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580384
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 26407832
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]propanamide
CID 26394365
(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 131904673
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394
6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 119061216

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 97155043) is 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one is O=c1cc(CN2CCC([C@@H](O)c3cccs3)CC2)[nH]c2ccccc12.
What is the InChIKey of 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is BBMUDYAMNSDXTN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-18-12-15(21-17-5-2-1-4-16(17)18)13-22-9-7-14(8-10-22)20(24)19-6-3-11-25-19/h1-6,11-12,14,20,24H,7-10,13H2,(H,21,23)/t20-/m1/s1.
What are the key properties of 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 354.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97155043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).