4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

C25H37N3O4 — CID 93197361

IUPAC4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C25H37N3O4/c1-18(2)17-22(29)27-15-11-19(12-16-27)23(25(31)28-13-5-4-6-14-28)26-24(30)20-7-9-21(32-3)10-8-20/h7-10,18-19,23H,4-6,11-17H2,1-3H3,(H,26,30)/t23-/m1/s1
InChIKeyQMECJUZTDBUVDY-HSZRJFAPSA-N
MW443.59 g/mol
LogP3.09
Rot. Bonds7

About 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide

4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (PubChem CID 93197361) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
PubChem CID93197361
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Name4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C25H37N3O4/c1-18(2)17-22(29)27-15-11-19(12-16-27)23(25(31)28-13-5-4-6-14-28)26-24(30)20-7-9-21(32-3)10-8-20/h7-10,18-19,23H,4-6,11-17H2,1-3H3,(H,26,30)/t23-/m1/s1
InChIKeyQMECJUZTDBUVDY-HSZRJFAPSA-N
XLogP3.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide with MolForge

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Related Compounds

4-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 93197506
4-methoxy-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 46019587
4-methoxy-N-[(1R)-2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 93197351
2-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93196510
3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198040
3-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198371
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 93197583
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391
4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93196747
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434
4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020666

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide (CID 93197361) is 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)CC(C)C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
The InChIKey is QMECJUZTDBUVDY-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-18(2)17-22(29)27-15-11-19(12-16-27)23(25(31)28-13-5-4-6-14-28)26-24(30)20-7-9-21(32-3)10-8-20/h7-10,18-19,23H,4-6,11-17H2,1-3H3,(H,26,30)/t23-/m1/s1.
What are the key properties of 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide?
4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide has a molecular weight of 443.59 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 93197361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).