1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-naphthyridin-2-one

C23H27N5O2 — CID 62705173

IUPAC1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H27N5O2/c29-22-7-6-17-16-24-11-8-20(17)27(22)13-3-12-26-14-9-18(10-15-26)28-21-5-2-1-4-19(21)25-23(28)30/h1-2,4-5,8,11,16,18H,3,6-7,9-10,12-15H2,(H,25,30)
InChIKeyZXSQHQBOVYMVGJ-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-1,6-naphthyridin-2-one

1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-naphthyridin-2-one (PubChem CID 62705173) 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-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-naphthyridin-2-one
PubChem CID62705173
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-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnccc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H27N5O2/c29-22-7-6-17-16-24-11-8-20(17)27(22)13-3-12-26-14-9-18(10-15-26)28-21-5-2-1-4-19(21)25-23(28)30/h1-2,4-5,8,11,16,18H,3,6-7,9-10,12-15H2,(H,25,30)
InChIKeyZXSQHQBOVYMVGJ-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

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Related Compounds

4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 62705176
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
(1R,2S,6R,7S)-4-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 10836686
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490
3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968543
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968540
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530

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-1,6-naphthyridin-2-one?
The IUPAC name of 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-naphthyridin-2-one (CID 62705173) is 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-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-1,6-naphthyridin-2-one?
The canonical SMILES for 1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-naphthyridin-2-one is O=C1CCc2cnccc2N1CCCN1CCC(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-1,6-naphthyridin-2-one?
The InChIKey is ZXSQHQBOVYMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22-7-6-17-16-24-11-8-20(17)27(22)13-3-12-26-14-9-18(10-15-26)28-21-5-2-1-4-19(21)25-23(28)30/h1-2,4-5,8,11,16,18H,3,6-7,9-10,12-15H2,(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-1,6-naphthyridin-2-one?
1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydro-1,6-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-1,6-naphthyridin-2-one is sourced from PubChem (CID 62705173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).