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

C18H32N6O2 — CID 70734295

IUPACN,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-21(2)17(25)6-9-23-7-4-15(5-8-23)18-20-19-16(22(18)3)14-24-10-12-26-13-11-24/h15H,4-14H2,1-3H3
InChIKeyWCAURSTXFZUIOO-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.31
Rot. Bonds6

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

N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide (PubChem CID 70734295) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
PubChem CID70734295
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-21(2)17(25)6-9-23-7-4-15(5-8-23)18-20-19-16(22(18)3)14-24-10-12-26-13-11-24/h15H,4-14H2,1-3H3
InChIKeyWCAURSTXFZUIOO-UHFFFAOYSA-N
XLogP0.31
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide (CID 70734295) is N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide is CN(C)C(=O)CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
The InChIKey is WCAURSTXFZUIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-21(2)17(25)6-9-23-7-4-15(5-8-23)18-20-19-16(22(18)3)14-24-10-12-26-13-11-24/h15H,4-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide?
N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide has a molecular weight of 364.49 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 70734295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).