N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide

C22H33N3O3 — CID 93199555

IUPACN-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
SMILESCCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](C)C(C)C)CC1
InChIInChI=1S/C22H33N3O3/c1-5-19(26)25-13-11-17(12-14-25)20(22(28)23-16(4)15(2)3)24-21(27)18-9-7-6-8-10-18/h6-10,15-17,20H,5,11-14H2,1-4H3,(H,23,28)(H,24,27)/t16-,20-/m1/s1
InChIKeyXCRXMSDWMBRFDE-OXQOHEQNSA-N
MW387.52 g/mol
LogP2.59
Rot. Bonds7

About N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide

N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide (PubChem CID 93199555) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
PubChem CID93199555
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
SMILESCCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](C)C(C)C)CC1
InChIInChI=1S/C22H33N3O3/c1-5-19(26)25-13-11-17(12-14-25)20(22(28)23-16(4)15(2)3)24-21(27)18-9-7-6-8-10-18/h6-10,15-17,20H,5,11-14H2,1-4H3,(H,23,28)(H,24,27)/t16-,20-/m1/s1
InChIKeyXCRXMSDWMBRFDE-OXQOHEQNSA-N
XLogP2.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200079
2-methyl-N-[(1S)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 93197964
4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200065
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199469
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199468
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
4-methoxy-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 46019587
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020155
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197087
N-[2-(cyclopropylamino)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42682685
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide (CID 93199555) is N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide is CCC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](C)C(C)C)CC1.
What is the InChIKey of N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is XCRXMSDWMBRFDE-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-5-19(26)25-13-11-17(12-14-25)20(22(28)23-16(4)15(2)3)24-21(27)18-9-7-6-8-10-18/h6-10,15-17,20H,5,11-14H2,1-4H3,(H,23,28)(H,24,27)/t16-,20-/m1/s1.
What are the key properties of N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide?
N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 387.52 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 93199555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).