2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C22H28N4O — CID 163349786

IUPAC2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1)N1CCCC1
InChIInChI=1S/C22H28N4O/c27-21(26-9-1-2-10-26)15-25-11-7-17(8-12-25)20-6-5-18-13-19(16-3-4-16)14-23-22(18)24-20/h5-6,13-14,16-17H,1-4,7-12,15H2
InChIKeySLVUOOZKPLSJGW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 163349786) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID163349786
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1)N1CCCC1
InChIInChI=1S/C22H28N4O/c27-21(26-9-1-2-10-26)15-25-11-7-17(8-12-25)20-6-5-18-13-19(16-3-4-16)14-23-22(18)24-20/h5-6,13-14,16-17H,1-4,7-12,15H2
InChIKeySLVUOOZKPLSJGW-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 163349786) is 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SLVUOOZKPLSJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21(26-9-1-2-10-26)15-25-11-7-17(8-12-25)20-6-5-18-13-19(16-3-4-16)14-23-22(18)24-20/h5-6,13-14,16-17H,1-4,7-12,15H2.
What are the key properties of 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 364.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 163349786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).