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

C18H30N4O2 — CID 24790483

IUPACN-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)CCN1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3,8,14-16H,4-7,9-13H2,1-2H3,(H,20,23)
InChIKeyDEGIBWQHOTVXHO-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.54
Rot. Bonds6

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

N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 24790483) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID24790483
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)CCN1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3,8,14-16H,4-7,9-13H2,1-2H3,(H,20,23)
InChIKeyDEGIBWQHOTVXHO-UHFFFAOYSA-N
XLogP2.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 24790483) is N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CC(C)CCN1CCC(n2nccc2NC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is DEGIBWQHOTVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3,8,14-16H,4-7,9-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 24790483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).