N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C20H32N4O — CID 45231713

IUPACN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)14-20(25)22-19-8-11-21-24(19)18-9-12-23(13-10-18)15-17-6-4-3-5-7-17/h3-4,8,11,16-18H,5-7,9-10,12-15H2,1-2H3,(H,22,25)
InChIKeyNQTVLPJAGRQXGN-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.86
Rot. Bonds6

About N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 45231713) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID45231713
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)14-20(25)22-19-8-11-21-24(19)18-9-12-23(13-10-18)15-17-6-4-3-5-7-17/h3-4,8,11,16-18H,5-7,9-10,12-15H2,1-2H3,(H,22,25)
InChIKeyNQTVLPJAGRQXGN-UHFFFAOYSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.86
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
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819485
US10118930, Example 342
CID 137018378
US10118930, Example 363
CID 137018659
N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24790288
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794235
N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 42906833
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
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(3-methylbutyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146890
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 26405004

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 45231713) is N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is NQTVLPJAGRQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(2)14-20(25)22-19-8-11-21-24(19)18-9-12-23(13-10-18)15-17-6-4-3-5-7-17/h3-4,8,11,16-18H,5-7,9-10,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 344.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 45231713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).