N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C22H28N4O4 — CID 24791215

IUPACN-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C22H28N4O4/c1-29-19-5-3-2-4-16(19)14-21(27)25-11-7-18(8-12-25)26-20(6-10-23-26)24-22(28)17-9-13-30-15-17/h2-6,10,17-18H,7-9,11-15H2,1H3,(H,24,28)
InChIKeyAMOPXTQGYVLWJL-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.27
Rot. Bonds6

About N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 24791215) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID24791215
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C22H28N4O4/c1-29-19-5-3-2-4-16(19)14-21(27)25-11-7-18(8-12-25)26-20(6-10-23-26)24-22(28)17-9-13-30-15-17/h2-6,10,17-18H,7-9,11-15H2,1H3,(H,24,28)
InChIKeyAMOPXTQGYVLWJL-UHFFFAOYSA-N
XLogP2.27
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 24791215) is N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is COc1ccccc1CC(=O)N1CCC(n2nccc2NC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is AMOPXTQGYVLWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-29-19-5-3-2-4-16(19)14-21(27)25-11-7-18(8-12-25)26-20(6-10-23-26)24-22(28)17-9-13-30-15-17/h2-6,10,17-18H,7-9,11-15H2,1H3,(H,24,28).
What are the key properties of N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 24791215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).