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

C20H30N4O3 — CID 45236958

IUPACN-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C2CCCCC2)CC1)C1CCOC1
InChIInChI=1S/C20H30N4O3/c25-19(16-9-13-27-14-16)22-18-6-10-21-24(18)17-7-11-23(12-8-17)20(26)15-4-2-1-3-5-15/h6,10,15-17H,1-5,7-9,11-14H2,(H,22,25)
InChIKeyXLINLPAIKYOBOY-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.60
Rot. Bonds4

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

N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45236958) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45236958
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C2CCCCC2)CC1)C1CCOC1
InChIInChI=1S/C20H30N4O3/c25-19(16-9-13-27-14-16)22-18-6-10-21-24(18)17-7-11-23(12-8-17)20(26)15-4-2-1-3-5-15/h6,10,15-17H,1-5,7-9,11-14H2,(H,22,25)
InChIKeyXLINLPAIKYOBOY-UHFFFAOYSA-N
XLogP2.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.60
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
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
3-cyclohexyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]propanamide
CID 72133284
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)tetrahydro-3-furancarboxamide
CID 45193714
N-{1-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45195051
N-{1-[1-(1-adamantylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45203039
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-(2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45228305
N-{1-[1-(spiro[2.5]oct-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 45238635

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45236958) is N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)C2CCCCC2)CC1)C1CCOC1.
What is the InChIKey of N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is XLINLPAIKYOBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c25-19(16-9-13-27-14-16)22-18-6-10-21-24(18)17-7-11-23(12-8-17)20(26)15-4-2-1-3-5-15/h6,10,15-17H,1-5,7-9,11-14H2,(H,22,25).
What are the key properties of N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45236958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).