(4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

C19H26N4O2 — CID 91919507

IUPAC(4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nncn3C(C)C)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-20-21-18(23)12-15-8-10-22(11-9-15)19(24)16-4-6-17(25-3)7-5-16/h4-7,13-15H,8-12H2,1-3H3
InChIKeyFDRIHQYHAVPPFL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.96
Rot. Bonds5

About (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

(4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91919507) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91919507
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3nncn3C(C)C)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-20-21-18(23)12-15-8-10-22(11-9-15)19(24)16-4-6-17(25-3)7-5-16/h4-7,13-15H,8-12H2,1-3H3
InChIKeyFDRIHQYHAVPPFL-UHFFFAOYSA-N
XLogP2.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 10500522
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CID 90493400
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 170231670
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 15391990
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(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
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(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
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2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110875671
(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 91919507) is (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cc3nncn3C(C)C)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FDRIHQYHAVPPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)23-13-20-21-18(23)12-15-8-10-22(11-9-15)19(24)16-4-6-17(25-3)7-5-16/h4-7,13-15H,8-12H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
(4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91919507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).