3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one

C17H21N3O2 — CID 175657740

IUPAC3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C17H21N3O2/c1-22-10-6-17(21)20-8-4-13(5-9-20)15-11-16-14(12-19-15)3-2-7-18-16/h2-3,7,11-13H,4-6,8-10H2,1H3
InChIKeyPVACIFQQODLMJN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds4

About 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one

3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one (PubChem CID 175657740) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
PubChem CID175657740
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C17H21N3O2/c1-22-10-6-17(21)20-8-4-13(5-9-20)15-11-16-14(12-19-15)3-2-7-18-16/h2-3,7,11-13H,4-6,8-10H2,1H3
InChIKeyPVACIFQQODLMJN-UHFFFAOYSA-N
XLogP2.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone
CID 92606069
(3-ethyl-1,2-oxazol-5-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
CID 92589094
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
CID 92588223
3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822603
N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]quinolin-3-yl]acetamide
CID 92550579
5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132729
3-methoxy-1-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92610992
3-methoxy-1-[4-[3-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822617
3-methoxy-1-[(3S)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108266
3-methoxy-1-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95108265
1-[4-(2-aminophenyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 170456860
(5-methylthiophen-3-yl)-[(3R)-3-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
CID 92602431

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one (CID 175657740) is 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2cc3ncccc3cn2)CC1.
What is the InChIKey of 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one?
The InChIKey is PVACIFQQODLMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-10-6-17(21)20-8-4-13(5-9-20)15-11-16-14(12-19-15)3-2-7-18-16/h2-3,7,11-13H,4-6,8-10H2,1H3.
What are the key properties of 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 175657740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).