6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

C23H25N3O4 — CID 46960684

IUPAC6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCc1cccc(CCC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1
InChIInChI=1S/C23H25N3O4/c1-15-3-2-4-18(24-15)6-8-22(28)26-11-9-16(10-12-26)23(29)17-5-7-20-19(13-17)25-21(27)14-30-20/h2-5,7,13,16H,6,8-12,14H2,1H3,(H,25,27)
InChIKeyGNMRCXUSDIUCMA-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.78
Rot. Bonds5

About 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 46960684) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID46960684
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCc1cccc(CCC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1
InChIInChI=1S/C23H25N3O4/c1-15-3-2-4-18(24-15)6-8-22(28)26-11-9-16(10-12-26)23(29)17-5-7-20-19(13-17)25-21(27)14-30-20/h2-5,7,13,16H,6,8-12,14H2,1H3,(H,25,27)
InChIKeyGNMRCXUSDIUCMA-UHFFFAOYSA-N
XLogP2.78
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[1-[3-(furan-2-yl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960659
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 46953247
6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886035
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51589221
6-[1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960669
6-[1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51598794
6-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960676
6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886257
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
1-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 110344918

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (CID 46960684) is 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is Cc1cccc(CCC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1.
What is the InChIKey of 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is GNMRCXUSDIUCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-3-2-4-18(24-15)6-8-22(28)26-11-9-16(10-12-26)23(29)17-5-7-20-19(13-17)25-21(27)14-30-20/h2-5,7,13,16H,6,8-12,14H2,1H3,(H,25,27).
What are the key properties of 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 407.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 46960684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).