ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine

C19H27N3O4 — CID 174634840

IUPACethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine
SMILESCCOC=O.COCCOC1CCN(c2cncc3cccnc23)CC1
InChIInChI=1S/C16H21N3O2.C3H6O2/c1-20-9-10-21-14-4-7-19(8-5-14)15-12-17-11-13-3-2-6-18-16(13)15;1-2-5-3-4/h2-3,6,11-12,14H,4-5,7-10H2,1H3;3H,2H2,1H3
InChIKeySVZJUNCWMKETPH-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.44
Rot. Bonds7

About ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine

ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine (PubChem CID 174634840) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine.

Molecular Properties

Compound Nameethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine
PubChem CID174634840
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nameethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine
SMILESCCOC=O.COCCOC1CCN(c2cncc3cccnc23)CC1
InChIInChI=1S/C16H21N3O2.C3H6O2/c1-20-9-10-21-14-4-7-19(8-5-14)15-12-17-11-13-3-2-6-18-16(13)15;1-2-5-3-4/h2-3,6,11-12,14H,4-5,7-10H2,1H3;3H,2H2,1H3
InChIKeySVZJUNCWMKETPH-UHFFFAOYSA-N
XLogP2.44
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine?
The IUPAC name of ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine (CID 174634840) is ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine.
What is the SMILES notation for ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine?
The canonical SMILES for ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine is CCOC=O.COCCOC1CCN(c2cncc3cccnc23)CC1.
What is the InChIKey of ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine?
The InChIKey is SVZJUNCWMKETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.C3H6O2/c1-20-9-10-21-14-4-7-19(8-5-14)15-12-17-11-13-3-2-6-18-16(13)15;1-2-5-3-4/h2-3,6,11-12,14H,4-5,7-10H2,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine?
ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine has a molecular weight of 361.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;8-[4-(2-methoxyethoxy)piperidin-1-yl]-1,6-naphthyridine is sourced from PubChem (CID 174634840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).