1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

C18H25N5O2 — CID 45232594

IUPAC1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCCN(C/C=C/c3ccco3)C2)nn1
InChIInChI=1S/C18H25N5O2/c1-14(2)19-18(24)17-13-23(21-20-17)15-6-3-9-22(12-15)10-4-7-16-8-5-11-25-16/h4-5,7-8,11,13-15H,3,6,9-10,12H2,1-2H3,(H,19,24)/b7-4+
InChIKeyOBEQROZOQPMRCY-QPJJXVBHSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds6

About 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 45232594) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID45232594
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCCN(C/C=C/c3ccco3)C2)nn1
InChIInChI=1S/C18H25N5O2/c1-14(2)19-18(24)17-13-23(21-20-17)15-6-3-9-22(12-15)10-4-7-16-8-5-11-25-16/h4-5,7-8,11,13-15H,3,6,9-10,12H2,1-2H3,(H,19,24)/b7-4+
InChIKeyOBEQROZOQPMRCY-QPJJXVBHSA-N
XLogP2.36
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343423
N-propan-2-yl-1-[(3R)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343421
[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 74780672
1-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42357932
[1-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42168076
[1-[1-(3-phenylprop-2-enyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 74780580
2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide
CID 95219305
1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42238606
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45206580
1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45237550
methyl 1-[(3S,5S)-1-[(E)-3-(furan-2-yl)prop-2-enyl]-5-(2-phenylethylcarbamoyl)pyrrolidin-3-yl]triazole-4-carboxylate
CID 26354940
1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 26337547

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (CID 45232594) is 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is CC(C)NC(=O)c1cn(C2CCCN(C/C=C/c3ccco3)C2)nn1.
What is the InChIKey of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is OBEQROZOQPMRCY-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(2)19-18(24)17-13-23(21-20-17)15-6-3-9-22(12-15)10-4-7-16-8-5-11-25-16/h4-5,7-8,11,13-15H,3,6,9-10,12H2,1-2H3,(H,19,24)/b7-4+.
What are the key properties of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 45232594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).