3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H24N4O4 — CID 25382426

IUPAC3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(=O)N1C[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)Oc2ccccc21
InChIInChI=1S/C23H24N4O4/c1-15(28)26-14-21(31-20-9-5-4-8-19(20)26)22(29)25-12-10-16(11-13-25)27-18-7-3-2-6-17(18)24-23(27)30/h2-9,16,21H,10-14H2,1H3,(H,24,30)/t21-/m1/s1
InChIKeyFKJRDGZERDDQTD-OAQYLSRUSA-N
MW420.47 g/mol
LogP2.31
Rot. Bonds2

About 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 25382426) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID25382426
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(=O)N1C[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)Oc2ccccc21
InChIInChI=1S/C23H24N4O4/c1-15(28)26-14-21(31-20-9-5-4-8-19(20)26)22(29)25-12-10-16(11-13-25)27-18-7-3-2-6-17(18)24-23(27)30/h2-9,16,21H,10-14H2,1H3,(H,24,30)/t21-/m1/s1
InChIKeyFKJRDGZERDDQTD-OAQYLSRUSA-N
XLogP2.31
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 154839744
1-[(2R)-2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 41023235
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 95377026
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750
CID 91445374
CID 91445374
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 17409754
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 25382426) is 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(=O)N1C[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)Oc2ccccc21.
What is the InChIKey of 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is FKJRDGZERDDQTD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(28)26-14-21(31-20-9-5-4-8-19(20)26)22(29)25-12-10-16(11-13-25)27-18-7-3-2-6-17(18)24-23(27)30/h2-9,16,21H,10-14H2,1H3,(H,24,30)/t21-/m1/s1.
What are the key properties of 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 420.47 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 25382426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).