3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one

C23H25N3O3 — CID 166195599

IUPAC3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one
SMILESO=C(c1cccc(NCc2cc3ccccc3[nH]c2=O)c1)N1CCC(CO)CC1
InChIInChI=1S/C23H25N3O3/c27-15-16-8-10-26(11-9-16)23(29)18-5-3-6-20(13-18)24-14-19-12-17-4-1-2-7-21(17)25-22(19)28/h1-7,12-13,16,24,27H,8-11,14-15H2,(H,25,28)
InChIKeyGLIKKSBZUOTRMZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.98
Rot. Bonds5

About 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one

3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one (PubChem CID 166195599) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one
PubChem CID166195599
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one
SMILESO=C(c1cccc(NCc2cc3ccccc3[nH]c2=O)c1)N1CCC(CO)CC1
InChIInChI=1S/C23H25N3O3/c27-15-16-8-10-26(11-9-16)23(29)18-5-3-6-20(13-18)24-14-19-12-17-4-1-2-7-21(17)25-22(19)28/h1-7,12-13,16,24,27H,8-11,14-15H2,(H,25,28)
InChIKeyGLIKKSBZUOTRMZ-UHFFFAOYSA-N
XLogP2.98
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 56510698
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
CID 86812574
N-[3-(piperidine-1-carbonyl)phenyl]-1H-indole-2-carboxamide
CID 87027796
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
CID 56511594
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one (CID 166195599) is 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one is O=C(c1cccc(NCc2cc3ccccc3[nH]c2=O)c1)N1CCC(CO)CC1.
What is the InChIKey of 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one?
The InChIKey is GLIKKSBZUOTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-15-16-8-10-26(11-9-16)23(29)18-5-3-6-20(13-18)24-14-19-12-17-4-1-2-7-21(17)25-22(19)28/h1-7,12-13,16,24,27H,8-11,14-15H2,(H,25,28).
What are the key properties of 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one?
3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one has a molecular weight of 391.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166195599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).