[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

C19H30N8O — CID 26410975

IUPAC[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2cn(CCN3CCCCC3)nn2)CC1
InChIInChI=1S/C19H30N8O/c1-23-8-5-20-18(23)16-25-9-12-26(13-10-25)19(28)17-15-27(22-21-17)14-11-24-6-3-2-4-7-24/h5,8,15H,2-4,6-7,9-14,16H2,1H3
InChIKeyNMQOLAMFYBZSLS-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.46
Rot. Bonds6

About [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (PubChem CID 26410975) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
PubChem CID26410975
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2cn(CCN3CCCCC3)nn2)CC1
InChIInChI=1S/C19H30N8O/c1-23-8-5-20-18(23)16-25-9-12-26(13-10-25)19(28)17-15-27(22-21-17)14-11-24-6-3-2-4-7-24/h5,8,15H,2-4,6-7,9-14,16H2,1H3
InChIKeyNMQOLAMFYBZSLS-UHFFFAOYSA-N
XLogP0.46
TPSA75.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The IUPAC name of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (CID 26410975) is [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.
What is the SMILES notation for [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The canonical SMILES for [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is Cn1ccnc1CN1CCN(C(=O)c2cn(CCN3CCCCC3)nn2)CC1.
What is the InChIKey of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The InChIKey is NMQOLAMFYBZSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-23-8-5-20-18(23)16-25-9-12-26(13-10-25)19(28)17-15-27(22-21-17)14-11-24-6-3-2-4-7-24/h5,8,15H,2-4,6-7,9-14,16H2,1H3.
What are the key properties of [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 26410975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).