N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C20H28N4O2 — CID 126461735

IUPACN-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1)C1CC1
InChIInChI=1S/C20H28N4O2/c25-19(14-15-4-2-1-3-5-15)23-12-9-17(10-13-23)24-18(8-11-21-24)22-20(26)16-6-7-16/h4,8,11,16-17H,1-3,5-7,9-10,12-14H2,(H,22,26)
InChIKeyNZKQQYVOKLNWLJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.29
Rot. Bonds5

About N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 126461735) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID126461735
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1)C1CC1
InChIInChI=1S/C20H28N4O2/c25-19(14-15-4-2-1-3-5-15)23-12-9-17(10-13-23)24-18(8-11-21-24)22-20(26)16-6-7-16/h4,8,11,16-17H,1-3,5-7,9-10,12-14H2,(H,22,26)
InChIKeyNZKQQYVOKLNWLJ-UHFFFAOYSA-N
XLogP3.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
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-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 44543677
N-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 52400436
2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide
CID 71979216
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
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
3-methyl-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25454434
N-[2-[1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26327196
3-phenyl-N-[1-(1-{[(1R*,2S*)-2-propylcyclopropyl]carbonyl}-4-piperidinyl)-1H-pyrazol-5-yl]propanamide
CID 26331253

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 126461735) is N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1)C1CC1.
What is the InChIKey of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is NZKQQYVOKLNWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19(14-15-4-2-1-3-5-15)23-12-9-17(10-13-23)24-18(8-11-21-24)22-20(26)16-6-7-16/h4,8,11,16-17H,1-3,5-7,9-10,12-14H2,(H,22,26).
What are the key properties of N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 126461735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).