(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide

C19H24N4OS — CID 100744723

IUPAC(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CC=CCC1
InChIInChI=1S/C19H24N4OS/c24-19(14-5-2-1-3-6-14)20-15-8-10-23(11-9-15)18-13-16(21-22-18)17-7-4-12-25-17/h1-2,4,7,12-15H,3,5-6,8-11H2,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyJMOMXMAQYUEHFG-AWEZNQCLSA-N
MW356.49 g/mol
LogP3.58
Rot. Bonds4

About (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide

(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 100744723) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
PubChem CID100744723
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Name(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CC=CCC1
InChIInChI=1S/C19H24N4OS/c24-19(14-5-2-1-3-6-14)20-15-8-10-23(11-9-15)18-13-16(21-22-18)17-7-4-12-25-17/h1-2,4,7,12-15H,3,5-6,8-11H2,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyJMOMXMAQYUEHFG-AWEZNQCLSA-N
XLogP3.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]oxolane-2-carboxamide
CID 100745102
(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100744073
2-methylsulfanyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91632025
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
(1S)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 97415247
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528390
4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 91818062
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91818067
2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
CID 99741748
4-chloro-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741662
N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 91818068

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide (CID 100744723) is (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is JMOMXMAQYUEHFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(14-5-2-1-3-6-14)20-15-8-10-23(11-9-15)18-13-16(21-22-18)17-7-4-12-25-17/h1-2,4,7,12-15H,3,5-6,8-11H2,(H,20,24)(H,21,22)/t14-/m0/s1.
What are the key properties of (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100744723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).