N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

C22H29N5O — CID 42428738

About N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide

N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 42428738) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
• PubChem CID: 42428738
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
• SMILES: O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C/C=C/c2ccccc2)nn1
• InChI: InChI=1S/C22H29N5O/c28-22(23-19-11-12-19)21-17-27(25-24-21)16-13-20-10-4-5-14-26(20)15-6-9-18-7-2-1-3-8-18/h1-3,6-9,17,19-20H,4-5,10-16H2,(H,23,28)/b9-6+/t20-/m1/s1
• InChIKey: ZIODJKOKADZCHN-AQDCRGGLSA-N
• XLogP: 3.13
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?

The IUPAC name of N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide (CID 42428738) is N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?

The canonical SMILES for N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C/C=C/c2ccccc2)nn1.

What is the InChIKey of N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?

The InChIKey is ZIODJKOKADZCHN-AQDCRGGLSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(23-19-11-12-19)21-17-27(25-24-21)16-13-20-10-4-5-14-26(20)15-6-9-18-7-2-1-3-8-18/h1-3,6-9,17,19-20H,4-5,10-16H2,(H,23,28)/b9-6+/t20-/m1/s1.

What are the key properties of N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide?

N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 42428738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).