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

C18H30N4O3 — CID 45240879

IUPACN-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)(CO)CN1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,13-23)12-21-8-4-15(5-9-21)22-16(3-7-19-22)20-17(24)14-6-10-25-11-14/h3,7,14-15,23H,4-6,8-13H2,1-2H3,(H,20,24)
InChIKeySTONWPDZLMLVTP-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.51
Rot. Bonds6

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

N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45240879) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45240879
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)(CO)CN1CCC(n2nccc2NC(=O)C2CCOC2)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,13-23)12-21-8-4-15(5-9-21)22-16(3-7-19-22)20-17(24)14-6-10-25-11-14/h3,7,14-15,23H,4-6,8-13H2,1-2H3,(H,20,24)
InChIKeySTONWPDZLMLVTP-UHFFFAOYSA-N
XLogP1.51
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[1-(2,3-dihydroxypropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818917
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-(2-cyclopentylpyrazol-3-yl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 45863068
1-(2,2-dimethylpropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 30186298
N-{1-[1-(2-butynoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-methylbutanamide
CID 42193324
2,2-dimethyl-N-{1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 42243597
Methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate
CID 45186291
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)tetrahydro-3-furancarboxamide
CID 45193714
ethyl 4-{5-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 45210335
3-methyl-N-{1-[1-(tetrahydro-3-furanylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45221190
N-{1-[1-(2,3-dihydroxypropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 45221917

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45240879) is N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CC(C)(CO)CN1CCC(n2nccc2NC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is STONWPDZLMLVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-18(2,13-23)12-21-8-4-15(5-9-21)22-16(3-7-19-22)20-17(24)14-6-10-25-11-14/h3,7,14-15,23H,4-6,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45240879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).