2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide

C19H35N7O — CID 50949560

IUPAC2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(Cc2nnc(CC3CCNCC3)n2C)CC1
InChIInChI=1S/C19H35N7O/c1-15(2)21-19(27)14-26-10-8-25(9-11-26)13-18-23-22-17(24(18)3)12-16-4-6-20-7-5-16/h15-16,20H,4-14H2,1-3H3,(H,21,27)
InChIKeyOMRXOSOYJRMPKM-UHFFFAOYSA-N
MW377.54 g/mol
LogP-0.00
Rot. Bonds7

About 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 50949560) has the molecular formula C19H35N7O and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID50949560
Molecular FormulaC19H35N7O
Molecular Weight377.54 g/mol
Exact Mass377.29
IUPAC Name2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(Cc2nnc(CC3CCNCC3)n2C)CC1
InChIInChI=1S/C19H35N7O/c1-15(2)21-19(27)14-26-10-8-25(9-11-26)13-18-23-22-17(24(18)3)12-16-4-6-20-7-5-16/h15-16,20H,4-14H2,1-3H3,(H,21,27)
InChIKeyOMRXOSOYJRMPKM-UHFFFAOYSA-N
XLogP-0.00
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 50949560) is 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(Cc2nnc(CC3CCNCC3)n2C)CC1.
What is the InChIKey of 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is OMRXOSOYJRMPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N7O/c1-15(2)21-19(27)14-26-10-8-25(9-11-26)13-18-23-22-17(24(18)3)12-16-4-6-20-7-5-16/h15-16,20H,4-14H2,1-3H3,(H,21,27).
What are the key properties of 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 377.54 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 50949560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).