[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

C19H27N7O — CID 133452313

IUPAC[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1nc(CN2CCN(c3ncccc3C(=O)N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C19H27N7O/c1-15-21-17(23-22-15)14-24-10-12-25(13-11-24)18-16(6-5-7-20-18)19(27)26-8-3-2-4-9-26/h5-7H,2-4,8-14H2,1H3,(H,21,22,23)
InChIKeyAPLWGBBPUUHIRK-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.46
Rot. Bonds4

About [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133452313) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133452313
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1nc(CN2CCN(c3ncccc3C(=O)N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C19H27N7O/c1-15-21-17(23-22-15)14-24-10-12-25(13-11-24)18-16(6-5-7-20-18)19(27)26-8-3-2-4-9-26/h5-7H,2-4,8-14H2,1H3,(H,21,22,23)
InChIKeyAPLWGBBPUUHIRK-UHFFFAOYSA-N
XLogP1.46
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
isoquinolin-3-yl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 138384006
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56802486
1-benzofuran-2-yl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 137344025
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134710595
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-[4-[3-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]benzonitrile
CID 133328453
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 127922251

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133452313) is [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1nc(CN2CCN(c3ncccc3C(=O)N3CCCCC3)CC2)n[nH]1.
What is the InChIKey of [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is APLWGBBPUUHIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-15-21-17(23-22-15)14-24-10-12-25(13-11-24)18-16(6-5-7-20-18)19(27)26-8-3-2-4-9-26/h5-7H,2-4,8-14H2,1H3,(H,21,22,23).
What are the key properties of [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 369.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133452313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).