N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide

C18H31N5O2 — CID 75259177

IUPACN-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide
SMILESCCCc1cn(C2CCN(C(=O)C(CC(C)C)NC(C)=O)CC2)nn1
InChIInChI=1S/C18H31N5O2/c1-5-6-15-12-23(21-20-15)16-7-9-22(10-8-16)18(25)17(11-13(2)3)19-14(4)24/h12-13,16-17H,5-11H2,1-4H3,(H,19,24)
InChIKeyKXXAINJJOSVLSF-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.94
Rot. Bonds7

About N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide

N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide (PubChem CID 75259177) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide
PubChem CID75259177
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide
SMILESCCCc1cn(C2CCN(C(=O)C(CC(C)C)NC(C)=O)CC2)nn1
InChIInChI=1S/C18H31N5O2/c1-5-6-15-12-23(21-20-15)16-7-9-22(10-8-16)18(25)17(11-13(2)3)19-14(4)24/h12-13,16-17H,5-11H2,1-4H3,(H,19,24)
InChIKeyKXXAINJJOSVLSF-UHFFFAOYSA-N
XLogP1.94
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide?
The IUPAC name of N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide (CID 75259177) is N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide is CCCc1cn(C2CCN(C(=O)C(CC(C)C)NC(C)=O)CC2)nn1.
What is the InChIKey of N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide?
The InChIKey is KXXAINJJOSVLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-5-6-15-12-23(21-20-15)16-7-9-22(10-8-16)18(25)17(11-13(2)3)19-14(4)24/h12-13,16-17H,5-11H2,1-4H3,(H,19,24).
What are the key properties of N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide?
N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide is sourced from PubChem (CID 75259177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).