3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one

C15H22N2O4 — CID 62093386

IUPAC3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)9-17-11-5-4-6-16-15(11)18/h7-8,11,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyYPUGOSBLPFDPAU-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.08
Rot. Bonds6

About 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one

3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one (PubChem CID 62093386) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
PubChem CID62093386
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)9-17-11-5-4-6-16-15(11)18/h7-8,11,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyYPUGOSBLPFDPAU-UHFFFAOYSA-N
XLogP1.08
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]piperidin-2-one
CID 62094486
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]azepan-2-one;hydrochloride
CID 56797284
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846
3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]azepan-2-one;hydrochloride
CID 56814243
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
3-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-dimethoxyphenyl]methylamino]pyrrolidin-2-one
CID 67000106
(3R)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 1059014
3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 3938018

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one (CID 62093386) is 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one is COc1cc(CNC2CCCNC2=O)cc(OC)c1OC.
What is the InChIKey of 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is YPUGOSBLPFDPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)9-17-11-5-4-6-16-15(11)18/h7-8,11,17H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one?
3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 294.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62093386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).