N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

C17H30N6O2 — CID 70711212

IUPACN,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C17H30N6O2/c1-20(2)16(24)13-22-6-4-14(5-7-22)17-19-18-15(21(17)3)12-23-8-10-25-11-9-23/h14H,4-13H2,1-3H3
InChIKeyIIPNIEWVENVGCF-UHFFFAOYSA-N
MW350.47 g/mol
LogP-0.09
Rot. Bonds5

About N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 70711212) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID70711212
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC NameN,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C17H30N6O2/c1-20(2)16(24)13-22-6-4-14(5-7-22)17-19-18-15(21(17)3)12-23-8-10-25-11-9-23/h14H,4-13H2,1-3H3
InChIKeyIIPNIEWVENVGCF-UHFFFAOYSA-N
XLogP-0.09
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 70711212) is N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is IIPNIEWVENVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-20(2)16(24)13-22-6-4-14(5-7-22)17-19-18-15(21(17)3)12-23-8-10-25-11-9-23/h14H,4-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 350.47 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 70711212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).