1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

C22H25N5O4 — CID 45237550

IUPAC1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)nn1
InChIInChI=1S/C22H25N5O4/c1-15(2)23-21(28)18-14-27(25-24-18)16-7-6-12-26(13-16)22(29)19-10-11-20(31-19)30-17-8-4-3-5-9-17/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3,(H,23,28)
InChIKeyNNHHUXYIKAKBPY-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.28
Rot. Bonds6

About 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide

1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 45237550) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID45237550
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)nn1
InChIInChI=1S/C22H25N5O4/c1-15(2)23-21(28)18-14-27(25-24-18)16-7-6-12-26(13-16)22(29)19-10-11-20(31-19)30-17-8-4-3-5-9-17/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3,(H,23,28)
InChIKeyNNHHUXYIKAKBPY-UHFFFAOYSA-N
XLogP3.28
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-1-[4-[(5-phenoxyfuran-2-carbonyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42383193
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
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 56891178
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45232594
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
1-[1-(3-methoxy-2-methylbenzoyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 136552055
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42192175

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide (CID 45237550) is 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is CC(C)NC(=O)c1cn(C2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)nn1.
What is the InChIKey of 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is NNHHUXYIKAKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15(2)23-21(28)18-14-27(25-24-18)16-7-6-12-26(13-16)22(29)19-10-11-20(31-19)30-17-8-4-3-5-9-17/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3,(H,23,28).
What are the key properties of 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide?
1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 45237550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).