N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide

C15H21N3O3 — CID 60799804

IUPACN-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
SMILESCc1cccc(C(=O)N(CC(N)=O)C2CCCNC2)c1O
InChIInChI=1S/C15H21N3O3/c1-10-4-2-6-12(14(10)20)15(21)18(9-13(16)19)11-5-3-7-17-8-11/h2,4,6,11,17,20H,3,5,7-9H2,1H3,(H2,16,19)
InChIKeyZMDYUEMECLUMHW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.38
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide

N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide (PubChem CID 60799804) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
PubChem CID60799804
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
SMILESCc1cccc(C(=O)N(CC(N)=O)C2CCCNC2)c1O
InChIInChI=1S/C15H21N3O3/c1-10-4-2-6-12(14(10)20)15(21)18(9-13(16)19)11-5-3-7-17-8-11/h2,4,6,11,17,20H,3,5,7-9H2,1H3,(H2,16,19)
InChIKeyZMDYUEMECLUMHW-UHFFFAOYSA-N
XLogP0.38
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60806691
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 81445654
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 60801397
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
N-ethyl-2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 60807403
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
N,2,3-trimethyl-N-piperidin-3-ylbenzamide
CID 54923746
N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 60800702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide (CID 60799804) is N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide is Cc1cccc(C(=O)N(CC(N)=O)C2CCCNC2)c1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide?
The InChIKey is ZMDYUEMECLUMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-2-6-12(14(10)20)15(21)18(9-13(16)19)11-5-3-7-17-8-11/h2,4,6,11,17,20H,3,5,7-9H2,1H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide?
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 60799804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).