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

C20H28N4O3 — CID 45195051

IUPACN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1)C1CCOC1
InChIInChI=1S/C20H28N4O3/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/h4,6,10,16-17H,1-3,5,7-9,11-14H2,(H,22,25)
InChIKeyARXDZIIEZFGXRT-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.52
Rot. Bonds4

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

N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45195051) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45195051
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1)C1CCOC1
InChIInChI=1S/C20H28N4O3/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/h4,6,10,16-17H,1-3,5,7-9,11-14H2,(H,22,25)
InChIKeyARXDZIIEZFGXRT-UHFFFAOYSA-N
XLogP2.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
3-phenyl-N-{1-[1-(tetrahydro-3-furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 45196363
N-{1-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25365653
N-(1-{1-[(1R*,2R*,4R*)-bicyclo[2.2.1]hept-5-en-2-ylcarbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 42193242
N-{1-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 42346225
N-{1-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 42594598
N-{1-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 42595274
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-(cyclohexylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45236958
N-{1-[1-(3-methyl-2-buten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45244300
N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 126461735

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45195051) is N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1)C1CCOC1.
What is the InChIKey of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is ARXDZIIEZFGXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/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/h4,6,10,16-17H,1-3,5,7-9,11-14H2,(H,22,25).
What are the key properties of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45195051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).