N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C19H25N5O3 — CID 24791176

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1nnc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccccc2C)o1
InChIInChI=1S/C19H25N5O3/c1-13-6-4-5-7-15(13)11-24-9-8-20-19(26)16(24)10-18(25)23(3)12-17-22-21-14(2)27-17/h4-7,16H,8-12H2,1-3H3,(H,20,26)
InChIKeyIJWVVCWERJVNPO-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.04
Rot. Bonds6

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 24791176) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID24791176
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1nnc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccccc2C)o1
InChIInChI=1S/C19H25N5O3/c1-13-6-4-5-7-15(13)11-24-9-8-20-19(26)16(24)10-18(25)23(3)12-17-22-21-14(2)27-17/h4-7,16H,8-12H2,1-3H3,(H,20,26)
InChIKeyIJWVVCWERJVNPO-UHFFFAOYSA-N
XLogP1.04
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 24791176) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is Cc1nnc(CN(C)C(=O)CC2C(=O)NCCN2Cc2ccccc2C)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is IJWVVCWERJVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-6-4-5-7-15(13)11-24-9-8-20-19(26)16(24)10-18(25)23(3)12-17-22-21-14(2)27-17/h4-7,16H,8-12H2,1-3H3,(H,20,26).
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 24791176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).