2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine

C19H21N3S — CID 155976951

IUPAC2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine
SMILESCc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)s1
InChIInChI=1S/C19H21N3S/c1-14-4-6-17(23-14)13-22-11-8-15(9-12-22)18-7-5-16-3-2-10-20-19(16)21-18/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyKGWJMNIQPNCDCM-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.38
Rot. Bonds3

About 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine

2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine (PubChem CID 155976951) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine
PubChem CID155976951
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine
SMILESCc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)s1
InChIInChI=1S/C19H21N3S/c1-14-4-6-17(23-14)13-22-11-8-15(9-12-22)18-7-5-16-3-2-10-20-19(16)21-18/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyKGWJMNIQPNCDCM-UHFFFAOYSA-N
XLogP4.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine?
The IUPAC name of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine (CID 155976951) is 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine?
The canonical SMILES for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine is Cc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)s1.
What is the InChIKey of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine?
The InChIKey is KGWJMNIQPNCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14-4-6-17(23-14)13-22-11-8-15(9-12-22)18-7-5-16-3-2-10-20-19(16)21-18/h2-7,10,15H,8-9,11-13H2,1H3.
What are the key properties of 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine?
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine has a molecular weight of 323.47 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,8-naphthyridine is sourced from PubChem (CID 155976951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).