4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C23H29N5O5 — CID 3871358

IUPAC4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)Cn2ccc(-c3ccc([N+](=O)[O-])cc3)n2)CC1
InChIInChI=1S/C23H29N5O5/c1-16(2)13-20-15-33-23(30)27(20)18-7-10-25(11-8-18)22(29)14-26-12-9-21(24-26)17-3-5-19(6-4-17)28(31)32/h3-6,9,12,16,18,20H,7-8,10-11,13-15H2,1-2H3
InChIKeyMBGXCNCJQSORMI-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.32
Rot. Bonds7

About 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3871358) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3871358
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Name4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)Cn2ccc(-c3ccc([N+](=O)[O-])cc3)n2)CC1
InChIInChI=1S/C23H29N5O5/c1-16(2)13-20-15-33-23(30)27(20)18-7-10-25(11-8-18)22(29)14-26-12-9-21(24-26)17-3-5-19(6-4-17)28(31)32/h3-6,9,12,16,18,20H,7-8,10-11,13-15H2,1-2H3
InChIKeyMBGXCNCJQSORMI-UHFFFAOYSA-N
XLogP3.32
TPSA110.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3510277
4,4-dimethyl-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4657681
1,3-dimethyl-7-[2-[4-[(4R)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]purine-2,6-dione
CID 23854569
4-(2-methylpropyl)-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3708594
3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3523328
2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one
CID 7665412
(4R)-3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 23909948
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3643779
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3526299
(3aS,8bR)-1-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 74224484
N-(1-adamantyl)-4-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 74228286
1-(2-methylpropyl)-3-(4-nitrophenyl)pyrazole-4-carboxylic acid
CID 43145864

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3871358) is 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC(C)CC1COC(=O)N1C1CCN(C(=O)Cn2ccc(-c3ccc([N+](=O)[O-])cc3)n2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MBGXCNCJQSORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-16(2)13-20-15-33-23(30)27(20)18-7-10-25(11-8-18)22(29)14-26-12-9-21(24-26)17-3-5-19(6-4-17)28(31)32/h3-6,9,12,16,18,20H,7-8,10-11,13-15H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 455.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-[1-[2-[3-(4-nitrophenyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3871358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).