(3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

C18H27N5O5 — CID 169421545

IUPAC(3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCN(CCCn1cccn1)C(=O)[C@H]1CN(C(=O)CN2CCOC2=O)CC[C@H]1O
InChIInChI=1S/C18H27N5O5/c1-20(6-3-8-23-7-2-5-19-23)17(26)14-12-21(9-4-15(14)24)16(25)13-22-10-11-28-18(22)27/h2,5,7,14-15,24H,3-4,6,8-13H2,1H3/t14-,15+/m0/s1
InChIKeyZPBMWMJPLZLSKU-LSDHHAIUSA-N
MW393.44 g/mol
LogP-0.61
Rot. Bonds7

About (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

(3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 169421545) has the molecular formula C18H27N5O5 and a molecular weight of 393.44 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID169421545
Molecular FormulaC18H27N5O5
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC Name(3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCN(CCCn1cccn1)C(=O)[C@H]1CN(C(=O)CN2CCOC2=O)CC[C@H]1O
InChIInChI=1S/C18H27N5O5/c1-20(6-3-8-23-7-2-5-19-23)17(26)14-12-21(9-4-15(14)24)16(25)13-22-10-11-28-18(22)27/h2,5,7,14-15,24H,3-4,6,8-13H2,1H3/t14-,15+/m0/s1
InChIKeyZPBMWMJPLZLSKU-LSDHHAIUSA-N
XLogP-0.61
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-amino-2-oxoethyl)-N-methyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 70710236
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
(1S,3S,4S)-3-hydroxy-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]-N-(3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide
CID 157019447
N-[[(3S,4S)-3-hydroxy-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-4-yl]methyl]benzamide
CID 56915030
3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 45253107
(4aS,8aR)-4-methyl-6-(4-pyrazol-1-ylbutanoyl)-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110135706
3-[2-oxo-2-[3-(2-phenylethyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 45215381
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70712835
3-[2-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 90637532
3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122268238
3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 134712083

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 169421545) is (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is CN(CCCn1cccn1)C(=O)[C@H]1CN(C(=O)CN2CCOC2=O)CC[C@H]1O.
What is the InChIKey of (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is ZPBMWMJPLZLSKU-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H27N5O5/c1-20(6-3-8-23-7-2-5-19-23)17(26)14-12-21(9-4-15(14)24)16(25)13-22-10-11-28-18(22)27/h2,5,7,14-15,24H,3-4,6,8-13H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
(3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of -0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-N-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 169421545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).