3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide

C19H29N3O3 — CID 95394237

IUPAC3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide
SMILESCC(C)c1ccc(CN2CCC[C@@](O)(CNCCC(N)=O)C2=O)cc1
InChIInChI=1S/C19H29N3O3/c1-14(2)16-6-4-15(5-7-16)12-22-11-3-9-19(25,18(22)24)13-21-10-8-17(20)23/h4-7,14,21,25H,3,8-13H2,1-2H3,(H2,20,23)/t19-/m1/s1
InChIKeyYXVBROWBJHGADZ-LJQANCHMSA-N
MW347.46 g/mol
LogP1.13
Rot. Bonds8

About 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide

3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide (PubChem CID 95394237) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide.

Molecular Properties

Compound Name3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide
PubChem CID95394237
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide
SMILESCC(C)c1ccc(CN2CCC[C@@](O)(CNCCC(N)=O)C2=O)cc1
InChIInChI=1S/C19H29N3O3/c1-14(2)16-6-4-15(5-7-16)12-22-11-3-9-19(25,18(22)24)13-21-10-8-17(20)23/h4-7,14,21,25H,3,8-13H2,1-2H3,(H2,20,23)/t19-/m1/s1
InChIKeyYXVBROWBJHGADZ-LJQANCHMSA-N
XLogP1.13
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?
The IUPAC name of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide (CID 95394237) is 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide.
What is the SMILES notation for 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?
The canonical SMILES for 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide is CC(C)c1ccc(CN2CCC[C@@](O)(CNCCC(N)=O)C2=O)cc1.
What is the InChIKey of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?
The InChIKey is YXVBROWBJHGADZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)16-6-4-15(5-7-16)12-22-11-3-9-19(25,18(22)24)13-21-10-8-17(20)23/h4-7,14,21,25H,3,8-13H2,1-2H3,(H2,20,23)/t19-/m1/s1.
What are the key properties of 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide?
3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]propanamide is sourced from PubChem (CID 95394237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).