3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide

C21H29N3O4 — CID 176579203

IUPAC3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide
SMILESCCC(=O)CNC(=O)c1cccc(C2CCCN(C(=O)CNC3COC3)C2)c1
InChIInChI=1S/C21H29N3O4/c1-2-19(25)10-23-21(27)16-6-3-5-15(9-16)17-7-4-8-24(12-17)20(26)11-22-18-13-28-14-18/h3,5-6,9,17-18,22H,2,4,7-8,10-14H2,1H3,(H,23,27)
InChIKeyDZSFDWLQUHUHPB-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.09
Rot. Bonds8

About 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide

3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide (PubChem CID 176579203) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide.

Molecular Properties

Compound Name3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide
PubChem CID176579203
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide
SMILESCCC(=O)CNC(=O)c1cccc(C2CCCN(C(=O)CNC3COC3)C2)c1
InChIInChI=1S/C21H29N3O4/c1-2-19(25)10-23-21(27)16-6-3-5-15(9-16)17-7-4-8-24(12-17)20(26)11-22-18-13-28-14-18/h3,5-6,9,17-18,22H,2,4,7-8,10-14H2,1H3,(H,23,27)
InChIKeyDZSFDWLQUHUHPB-UHFFFAOYSA-N
XLogP1.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexane;3-[1-[2-(cyclopropylmethoxy)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide;ethane;prop-1-ene
CID 176581381
3-[1-(2-chloroacetyl)piperidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide;cyclohexane
CID 176575975
3-[1-(2-chloroacetyl)piperidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide
CID 176575976
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide
CID 176578218
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[(3S)-1-pentanoylpiperidin-3-yl]benzamide;molecular hydrogen
CID 176575848
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
(3S)-3-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891197

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide?
The IUPAC name of 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide (CID 176579203) is 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide.
What is the SMILES notation for 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide?
The canonical SMILES for 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide is CCC(=O)CNC(=O)c1cccc(C2CCCN(C(=O)CNC3COC3)C2)c1.
What is the InChIKey of 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide?
The InChIKey is DZSFDWLQUHUHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-19(25)10-23-21(27)16-6-3-5-15(9-16)17-7-4-8-24(12-17)20(26)11-22-18-13-28-14-18/h3,5-6,9,17-18,22H,2,4,7-8,10-14H2,1H3,(H,23,27).
What are the key properties of 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide?
3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(oxetan-3-ylamino)acetyl]piperidin-3-yl]-N-(2-oxobutyl)benzamide is sourced from PubChem (CID 176579203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).