3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one

C16H24N2O3 — CID 62092846

IUPAC3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)ccc1OC(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)21-14-7-6-12(9-15(14)20-3)10-18-13-5-4-8-17-16(13)19/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyWJUBVLWJFUSBKC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds6

About 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one

3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one (PubChem CID 62092846) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
PubChem CID62092846
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)ccc1OC(C)C
InChIInChI=1S/C16H24N2O3/c1-11(2)21-14-7-6-12(9-15(14)20-3)10-18-13-5-4-8-17-16(13)19/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,17,19)
InChIKeyWJUBVLWJFUSBKC-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
(3R)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 1059014
3-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]azepan-2-one
CID 3938018
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
(3R)-3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]azepan-2-one
CID 42563386
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
CID 62094837
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]piperidin-2-one
CID 62094486

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one (CID 62092846) is 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one is COc1cc(CNC2CCCNC2=O)ccc1OC(C)C.
What is the InChIKey of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one?
The InChIKey is WJUBVLWJFUSBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)21-14-7-6-12(9-15(14)20-3)10-18-13-5-4-8-17-16(13)19/h6-7,9,11,13,18H,4-5,8,10H2,1-3H3,(H,17,19).
What are the key properties of 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one?
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62092846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).