[4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

C22H28N6O — CID 67664143

IUPAC[4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCN1C=C(CCNC2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)C=CC1
InChIInChI=1S/C22H28N6O/c1-26-12-2-3-18(15-26)8-11-24-20-9-13-27(14-10-20)22(29)19-4-6-21(7-5-19)28-17-23-16-25-28/h2-7,15-17,20,24H,8-14H2,1H3
InChIKeyYLVCWCQADMZXRE-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.24
Rot. Bonds6

About [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

[4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 67664143) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID67664143
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name[4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCN1C=C(CCNC2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)C=CC1
InChIInChI=1S/C22H28N6O/c1-26-12-2-3-18(15-26)8-11-24-20-9-13-27(14-10-20)22(29)19-4-6-21(7-5-19)28-17-23-16-25-28/h2-7,15-17,20,24H,8-14H2,1H3
InChIKeyYLVCWCQADMZXRE-UHFFFAOYSA-N
XLogP2.24
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(1,2-dimethyl-2H-pyridin-6-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;trihydrochloride
CID 67665348
[4-[2-aminoethyl(methyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 23285102
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119625497
[4-[2-(4-methoxyphenyl)ethyl-methylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285036
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 33304479
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285087
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 46511091
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;trihydrochloride
CID 23285086
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 35371042
(4-hydroxy-4-propylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 154802849
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 67664143) is [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is CN1C=C(CCNC2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)C=CC1.
What is the InChIKey of [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is YLVCWCQADMZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-26-12-2-3-18(15-26)8-11-24-20-9-13-27(14-10-20)22(29)19-4-6-21(7-5-19)28-17-23-16-25-28/h2-7,15-17,20,24H,8-14H2,1H3.
What are the key properties of [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
[4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 392.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 67664143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).