N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C22H30N4O — CID 24794307

IUPACN-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-3-18(2)17-25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-9-19-7-5-4-6-8-19/h3-8,11,14,20H,9-10,12-13,15-17H2,1-2H3,(H,24,27)/b18-3+
InChIKeyJPTZOGGYISEVBW-JFQJCAQQSA-N
MW366.51 g/mol
LogP4.06
Rot. Bonds7

About N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24794307) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24794307
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESC/C=C(\C)CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-3-18(2)17-25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-9-19-7-5-4-6-8-19/h3-8,11,14,20H,9-10,12-13,15-17H2,1-2H3,(H,24,27)/b18-3+
InChIKeyJPTZOGGYISEVBW-JFQJCAQQSA-N
XLogP4.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24794307) is N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is C/C=C(\C)CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is JPTZOGGYISEVBW-JFQJCAQQSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-18(2)17-25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-9-19-7-5-4-6-8-19/h3-8,11,14,20H,9-10,12-13,15-17H2,1-2H3,(H,24,27)/b18-3+.
What are the key properties of N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24794307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).