1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one

C23H27N5O2 — CID 62705175

IUPAC1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESO=C1CCc2cccnc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H27N5O2/c29-21-9-8-17-5-3-12-24-22(17)27(21)14-4-13-26-15-10-18(11-16-26)28-20-7-2-1-6-19(20)25-23(28)30/h1-3,5-7,12,18H,4,8-11,13-16H2,(H,25,30)
InChIKeyPNQNPKIDRYQUHE-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.73
Rot. Bonds5

About 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one

1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 62705175) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID62705175
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESO=C1CCc2cccnc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H27N5O2/c29-21-9-8-17-5-3-12-24-22(17)27(21)14-4-13-26-15-10-18(11-16-26)28-20-7-2-1-6-19(20)25-23(28)30/h1-3,5-7,12,18H,4,8-11,13-16H2,(H,25,30)
InChIKeyPNQNPKIDRYQUHE-UHFFFAOYSA-N
XLogP2.73
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one (CID 62705175) is 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one is O=C1CCc2cccnc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is PNQNPKIDRYQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-21-9-8-17-5-3-12-24-22(17)27(21)14-4-13-26-15-10-18(11-16-26)28-20-7-2-1-6-19(20)25-23(28)30/h1-3,5-7,12,18H,4,8-11,13-16H2,(H,25,30).
What are the key properties of 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one?
1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 405.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 62705175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).