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

C17H24N4O2 — CID 42595274

IUPACN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C17H24N4O2/c1-13(22)19-16-7-10-18-21(16)15-8-11-20(12-9-15)17(23)14-5-3-2-4-6-14/h5,7,10,15H,2-4,6,8-9,11-12H2,1H3,(H,19,22)
InChIKeyXOYPLCSIZYINHB-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.51
Rot. Bonds3

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

N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 42595274) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID42595274
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C17H24N4O2/c1-13(22)19-16-7-10-18-21(16)15-8-11-20(12-9-15)17(23)14-5-3-2-4-6-14/h5,7,10,15H,2-4,6,8-9,11-12H2,1H3,(H,19,22)
InChIKeyXOYPLCSIZYINHB-UHFFFAOYSA-N
XLogP2.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-{1-[1-(3-methyl-2-butenoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenylpropanamide
CID 24819281
2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 72119584
N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146890
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 31851906
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 44543677
2-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 52381063
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide
CID 91648963
(13z,17z)-N-(1-methyl-1h-pyrazol-5-yl)triaconta13,17-dienamide
CID 171665971
2-oxo-N-[1-(3,3,3-trifluoropropyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-1H-1,8-naphthyridine-4-carboxamide
CID 166278443
N-{1-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25365653
N-[1-(1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]cyclopropanecarboxamide
CID 25370656

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 42595274) is N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1.
What is the InChIKey of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is XOYPLCSIZYINHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(22)19-16-7-10-18-21(16)15-8-11-20(12-9-15)17(23)14-5-3-2-4-6-14/h5,7,10,15H,2-4,6,8-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 42595274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).