(4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone

C20H29N7O — CID 133452317

IUPAC(4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone
SMILESCc1nc(CN2CCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)CC2)n[nH]1
InChIInChI=1S/C20H29N7O/c1-15-5-7-27(8-6-15)20(28)17-3-4-19(21-13-17)26-11-9-25(10-12-26)14-18-22-16(2)23-24-18/h3-4,13,15H,5-12,14H2,1-2H3,(H,22,23,24)
InChIKeyZWYSNARMOMPJCA-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.70
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone (PubChem CID 133452317) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone
PubChem CID133452317
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name(4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone
SMILESCc1nc(CN2CCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)CC2)n[nH]1
InChIInChI=1S/C20H29N7O/c1-15-5-7-27(8-6-15)20(28)17-3-4-19(21-13-17)26-11-9-25(10-12-26)14-18-22-16(2)23-24-18/h3-4,13,15H,5-12,14H2,1-2H3,(H,22,23,24)
InChIKeyZWYSNARMOMPJCA-UHFFFAOYSA-N
XLogP1.70
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
CID 133333967
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[6-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133334838
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
[6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133345853
[6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133344367
5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106740
[6-[3-(2-hydroxyethoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133315243
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone (CID 133452317) is (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone is Cc1nc(CN2CCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)CC2)n[nH]1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone?
The InChIKey is ZWYSNARMOMPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-15-5-7-27(8-6-15)20(28)17-3-4-19(21-13-17)26-11-9-25(10-12-26)14-18-22-16(2)23-24-18/h3-4,13,15H,5-12,14H2,1-2H3,(H,22,23,24).
What are the key properties of (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone has a molecular weight of 383.50 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 133452317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).