N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide

C20H31N5OS — CID 118219301

IUPACN-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CCN1CCC(n2c(C)nnc2C(C)C)CC1)c1cccs1
InChIInChI=1S/C20H31N5OS/c1-14(2)20-23-22-15(3)25(20)17-7-10-24(11-8-17)12-9-18(21-16(4)26)19-6-5-13-27-19/h5-6,13-14,17-18H,7-12H2,1-4H3,(H,21,26)
InChIKeyLFZAGIJXANFPFN-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.68
Rot. Bonds7

About N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide

N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide (PubChem CID 118219301) has the molecular formula C20H31N5OS and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
PubChem CID118219301
Molecular FormulaC20H31N5OS
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC NameN-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CCN1CCC(n2c(C)nnc2C(C)C)CC1)c1cccs1
InChIInChI=1S/C20H31N5OS/c1-14(2)20-23-22-15(3)25(20)17-7-10-24(11-8-17)12-9-18(21-16(4)26)19-6-5-13-27-19/h5-6,13-14,17-18H,7-12H2,1-4H3,(H,21,26)
InChIKeyLFZAGIJXANFPFN-UHFFFAOYSA-N
XLogP3.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide (CID 118219301) is N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide is CC(=O)NC(CCN1CCC(n2c(C)nnc2C(C)C)CC1)c1cccs1.
What is the InChIKey of N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is LFZAGIJXANFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5OS/c1-14(2)20-23-22-15(3)25(20)17-7-10-24(11-8-17)12-9-18(21-16(4)26)19-6-5-13-27-19/h5-6,13-14,17-18H,7-12H2,1-4H3,(H,21,26).
What are the key properties of N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 389.57 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 118219301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).