(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide

C21H26N4O4 — CID 164642882

IUPAC(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C21H26N4O4/c26-19-13-17(23-25(19)16-5-2-1-3-6-16)21(28)24-10-8-15(9-11-24)14-22-20(27)18-7-4-12-29-18/h1-3,5-6,13,15,18,23H,4,7-12,14H2,(H,22,27)/t18-/m0/s1
InChIKeyUBACZKGAQSYIIE-SFHVURJKSA-N
MW398.46 g/mol
LogP1.31
Rot. Bonds5

About (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide

(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 164642882) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID164642882
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C21H26N4O4/c26-19-13-17(23-25(19)16-5-2-1-3-6-16)21(28)24-10-8-15(9-11-24)14-22-20(27)18-7-4-12-29-18/h1-3,5-6,13,15,18,23H,4,7-12,14H2,(H,22,27)/t18-/m0/s1
InChIKeyUBACZKGAQSYIIE-SFHVURJKSA-N
XLogP1.31
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide 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

N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99993161
(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide
CID 95813104
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 108922104
(2S,5R)-5-(aminomethyl)-N-[(1-benzoylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 120794252
5-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 56892164
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
N-[[(3R)-1-(2-oxo-3H-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]oxane-2-carboxamide
CID 154876476
(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 131920373
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 94221459
(1R,5S)-3-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133132481
(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 27151651

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide (CID 164642882) is (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide is O=C(NCC1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is UBACZKGAQSYIIE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-19-13-17(23-25(19)16-5-2-1-3-6-16)21(28)24-10-8-15(9-11-24)14-22-20(27)18-7-4-12-29-18/h1-3,5-6,13,15,18,23H,4,7-12,14H2,(H,22,27)/t18-/m0/s1.
What are the key properties of (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 164642882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).