3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide

C22H31N3O3 — CID 46020159

IUPAC3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCC(=O)N1CCC(C(NC(=O)c2cccc(C)c2)C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H31N3O3/c1-3-19(26)24-13-9-17(10-14-24)20(22(28)25-11-4-5-12-25)23-21(27)18-8-6-7-16(2)15-18/h6-8,15,17,20H,3-5,9-14H2,1-2H3,(H,23,27)
InChIKeyRDVKWMWJFTXMQY-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.36
Rot. Bonds5

About 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide

3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 46020159) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID46020159
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCCC(=O)N1CCC(C(NC(=O)c2cccc(C)c2)C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H31N3O3/c1-3-19(26)24-13-9-17(10-14-24)20(22(28)25-11-4-5-12-25)23-21(27)18-8-6-7-16(2)15-18/h6-8,15,17,20H,3-5,9-14H2,1-2H3,(H,23,27)
InChIKeyRDVKWMWJFTXMQY-UHFFFAOYSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-oxo-2-piperidin-1-yl-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 46020042
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 93199073
3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198790
N-[2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46020048
3-methyl-N-[(1S)-2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93200710
4-fluoro-N-[(1S)-2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 93196747
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020036
3-methyl-N-[(1R)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93200709
3-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198371
N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016050
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 46020159) is 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide is CCC(=O)N1CCC(C(NC(=O)c2cccc(C)c2)C(=O)N2CCCC2)CC1.
What is the InChIKey of 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is RDVKWMWJFTXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-19(26)24-13-9-17(10-14-24)20(22(28)25-11-4-5-12-25)23-21(27)18-8-6-7-16(2)15-18/h6-8,15,17,20H,3-5,9-14H2,1-2H3,(H,23,27).
What are the key properties of 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide?
3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 385.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 46020159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).