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

C20H25N5O — CID 26319284

IUPACN-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(C/C=C/c3ccccc3)CC2)nn1
InChIInChI=1S/C20H25N5O/c26-20(21-17-8-9-17)19-15-25(23-22-19)18-10-13-24(14-11-18)12-4-7-16-5-2-1-3-6-16/h1-7,15,17-18H,8-14H2,(H,21,26)/b7-4+
InChIKeyJOYGTJZSCXSIMM-QPJJXVBHSA-N
MW351.45 g/mol
LogP2.52
Rot. Bonds6

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

N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 26319284) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID26319284
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCN(C/C=C/c3ccccc3)CC2)nn1
InChIInChI=1S/C20H25N5O/c26-20(21-17-8-9-17)19-15-25(23-22-19)18-10-13-24(14-11-18)12-4-7-16-5-2-1-3-6-16/h1-7,15,17-18H,8-14H2,(H,21,26)/b7-4+
InChIKeyJOYGTJZSCXSIMM-QPJJXVBHSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
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[1-[1-(3-phenylprop-2-enyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
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[1-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42168076
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1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
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N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 29028952
N-cyclopropyl-4-methoxy-2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]oxybenzamide
CID 42564920
N-[1-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide (CID 26319284) is N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(C2CCN(C/C=C/c3ccccc3)CC2)nn1.
What is the InChIKey of N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is JOYGTJZSCXSIMM-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(21-17-8-9-17)19-15-25(23-22-19)18-10-13-24(14-11-18)12-4-7-16-5-2-1-3-6-16/h1-7,15,17-18H,8-14H2,(H,21,26)/b7-4+.
What are the key properties of N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide?
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 26319284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).