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

C18H30N4O2 — CID 45228305

IUPACN-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)(C)CN1CCC(n2nccc2NC(=O)C2CCOC2)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)
InChIKeyKZYGXCFDDNBJJW-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.54
Rot. Bonds4

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

N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45228305) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45228305
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)(C)CN1CCC(n2nccc2NC(=O)C2CCOC2)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)
InChIKeyKZYGXCFDDNBJJW-UHFFFAOYSA-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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Related Compounds

N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45240879
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]acetamide
CID 97209246
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
(3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide
CID 164632385
2,2-dimethyl-N-{1-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 26395668
3-methyl-N-{1-[1-(3,3,3-trifluoropropanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42378652
3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
CID 167867013
N-{1-[1-(2-butynoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25447141
3-methyl-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25454434

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45228305) is N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CC(C)(C)CN1CCC(n2nccc2NC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is KZYGXCFDDNBJJW-UHFFFAOYSA-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).
What are the key properties of N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
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 N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45228305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).