1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione

C26H25N3O3 — CID 21109782

IUPAC1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H25N3O3/c30-24(21-9-5-7-18-6-1-2-8-20(18)21)12-13-25(31)28-16-14-19(15-17-28)29-23-11-4-3-10-22(23)27-26(29)32/h1-11,19H,12-17H2,(H,27,32)
InChIKeyKYNAEXVPGFXRQR-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.31
Rot. Bonds5

About 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione

1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione (PubChem CID 21109782) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
PubChem CID21109782
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H25N3O3/c30-24(21-9-5-7-18-6-1-2-8-20(18)21)12-13-25(31)28-16-14-19(15-17-28)29-23-11-4-3-10-22(23)27-26(29)32/h1-11,19H,12-17H2,(H,27,32)
InChIKeyKYNAEXVPGFXRQR-UHFFFAOYSA-N
XLogP4.31
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione with MolForge

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Related Compounds

1-(4-amino-3,5-dibromophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109755
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]prop-2-enamide
CID 172967751
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172968233
3-[1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 70707174
N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]thiophene-2-carboxamide
CID 51246927
4-tert-butyl-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]benzamide
CID 46656226

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione?
The IUPAC name of 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione (CID 21109782) is 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione is O=C(CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione?
The InChIKey is KYNAEXVPGFXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-24(21-9-5-7-18-6-1-2-8-20(18)21)12-13-25(31)28-16-14-19(15-17-28)29-23-11-4-3-10-22(23)27-26(29)32/h1-11,19H,12-17H2,(H,27,32).
What are the key properties of 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione?
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione has a molecular weight of 427.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 21109782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).