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

C22H24N4O4 — CID 26321404

IUPAC(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2cc3ccccc3o2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C22H24N4O4/c27-21(16-8-12-29-14-16)24-20-5-9-23-26(20)17-6-10-25(11-7-17)22(28)19-13-15-3-1-2-4-18(15)30-19/h1-5,9,13,16-17H,6-8,10-12,14H2,(H,24,27)/t16-/m1/s1
InChIKeyUDBDICMUPICOFK-MRXNPFEDSA-N
MW408.46 g/mol
LogP3.08
Rot. Bonds4

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

(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 26321404) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID26321404
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2cc3ccccc3o2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C22H24N4O4/c27-21(16-8-12-29-14-16)24-20-5-9-23-26(20)17-6-10-25(11-7-17)22(28)19-13-15-3-1-2-4-18(15)30-19/h1-5,9,13,16-17H,6-8,10-12,14H2,(H,24,27)/t16-/m1/s1
InChIKeyUDBDICMUPICOFK-MRXNPFEDSA-N
XLogP3.08
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 24817087
N-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45205188
(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42466671
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635
(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 25297135
(3R)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42288539
(3S)-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26329095
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376
N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45242836
(3R)-N-[(1R)-1-[7-(1-benzofuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl]oxolane-3-carboxamide
CID 42376529
N-[1-[7-(1-benzofuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl]oxolane-3-carboxamide
CID 45221571
(3R)-N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42378611

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 26321404) is (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)c2cc3ccccc3o2)CC1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is UDBDICMUPICOFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-21(16-8-12-29-14-16)24-20-5-9-23-26(20)17-6-10-25(11-7-17)22(28)19-13-15-3-1-2-4-18(15)30-19/h1-5,9,13,16-17H,6-8,10-12,14H2,(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 26321404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).