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

C24H34N4O3 — CID 45203039

IUPACN-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C1CCOC1
InChIInChI=1S/C24H34N4O3/c29-22(19-4-8-31-15-19)26-21-1-5-25-28(21)20-2-6-27(7-3-20)23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h1,5,16-20H,2-4,6-15H2,(H,26,29)
InChIKeyKZRHCIXTYXXLJQ-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.24
Rot. Bonds4

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

N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45203039) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45203039
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C1CCOC1
InChIInChI=1S/C24H34N4O3/c29-22(19-4-8-31-15-19)26-21-1-5-25-28(21)20-2-6-27(7-3-20)23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h1,5,16-20H,2-4,6-15H2,(H,26,29)
InChIKeyKZRHCIXTYXXLJQ-UHFFFAOYSA-N
XLogP3.24
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[1-(2-adamantyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 42209771
N-{1-[1-(2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45228305
N-{1-[1-(cyclohexylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45236958
(3R)-N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 25380846
(3S)-N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 25380853
(3R)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26318307
(3S)-N-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26318311
(3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26322714
(3S)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26322717
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]adamantane-1-carboxamide
CID 30183629
N-[3-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 35440391
(3R)-N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42213931

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45203039) is N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)C1CCOC1.
What is the InChIKey of N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is KZRHCIXTYXXLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-22(19-4-8-31-15-19)26-21-1-5-25-28(21)20-2-6-27(7-3-20)23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h1,5,16-20H,2-4,6-15H2,(H,26,29).
What are the key properties of N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(adamantane-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45203039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).