(2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide

C20H26N4O2 — CID 136583187

IUPAC(2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide
SMILESCN1CCC([C@@H]2OCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C20H26N4O2/c1-23-11-6-15(7-12-23)19-18(8-13-26-19)20(25)22-16-4-2-5-17(14-16)24-10-3-9-21-24/h2-5,9-10,14-15,18-19H,6-8,11-13H2,1H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyCDGLZRFHFNYCTM-MOPGFXCFSA-N
MW354.45 g/mol
LogP2.56
Rot. Bonds4

About (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide

(2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide (PubChem CID 136583187) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide
PubChem CID136583187
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide
SMILESCN1CCC([C@@H]2OCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C20H26N4O2/c1-23-11-6-15(7-12-23)19-18(8-13-26-19)20(25)22-16-4-2-5-17(14-16)24-10-3-9-21-24/h2-5,9-10,14-15,18-19H,6-8,11-13H2,1H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyCDGLZRFHFNYCTM-MOPGFXCFSA-N
XLogP2.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 131935601
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 131938691
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986871
(2S)-1-[(5-methoxy-4-oxopyran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72838971
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide (CID 136583187) is (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide is CN1CCC([C@@H]2OCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1.
What is the InChIKey of (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
The InChIKey is CDGLZRFHFNYCTM-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-11-6-15(7-12-23)19-18(8-13-26-19)20(25)22-16-4-2-5-17(14-16)24-10-3-9-21-24/h2-5,9-10,14-15,18-19H,6-8,11-13H2,1H3,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide?
(2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 136583187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).