(3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C18H30N4O2 — CID 26318311

IUPAC(3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)(C)CN1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)13-21-9-5-15(6-10-21)22-16(4-8-19-22)20-17(23)14-7-11-24-12-14/h4,8,14-15H,5-7,9-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyKZYGXCFDDNBJJW-AWEZNQCLSA-N
MW334.46 g/mol
LogP2.54
Rot. Bonds4

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

(3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 26318311) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID26318311
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)(C)CN1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)13-21-9-5-15(6-10-21)22-16(4-8-19-22)20-17(23)14-7-11-24-12-14/h4,8,14-15H,5-7,9-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyKZYGXCFDDNBJJW-AWEZNQCLSA-N
XLogP2.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 26318311) is (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CC(C)(C)CN1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1.
What is the InChIKey of (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is KZYGXCFDDNBJJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)13-21-9-5-15(6-10-21)22-16(4-8-19-22)20-17(23)14-7-11-24-12-14/h4,8,14-15H,5-7,9-13H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 26318311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).