(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C21H25FN4O4 — CID 25297135

IUPAC(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1F
InChIInChI=1S/C21H25FN4O4/c1-29-18-3-2-14(12-17(18)22)21(28)25-9-5-16(6-10-25)26-19(4-8-23-26)24-20(27)15-7-11-30-13-15/h2-4,8,12,15-16H,5-7,9-11,13H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyBCXMWCVEBNLFHN-OAHLLOKOSA-N
MW416.45 g/mol
LogP2.48
Rot. Bonds5

About (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 25297135) has the molecular formula C21H25FN4O4 and a molecular weight of 416.45 g/mol. Its IUPAC name is (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID25297135
Molecular FormulaC21H25FN4O4
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC Name(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1F
InChIInChI=1S/C21H25FN4O4/c1-29-18-3-2-14(12-17(18)22)21(28)25-9-5-16(6-10-25)26-19(4-8-23-26)24-20(27)15-7-11-30-13-15/h2-4,8,12,15-16H,5-7,9-11,13H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyBCXMWCVEBNLFHN-OAHLLOKOSA-N
XLogP2.48
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26321404
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892538
N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24819283
N-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45205188
(3S)-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26329095
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
N-[2-[1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26331178
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26391328
(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42466671
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 25297135) is (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1F.
What is the InChIKey of (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is BCXMWCVEBNLFHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25FN4O4/c1-29-18-3-2-14(12-17(18)22)21(28)25-9-5-16(6-10-25)26-19(4-8-23-26)24-20(27)15-7-11-30-13-15/h2-4,8,12,15-16H,5-7,9-11,13H2,1H3,(H,24,27)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 25297135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).