N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide

C18H27N3O2 — CID 113165787

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H27N3O2/c1-16(22)21(10-6-9-17-7-4-3-5-8-17)15-18(23)20-13-11-19(2)12-14-20/h3-5,7-8H,6,9-15H2,1-2H3
InChIKeyDJFGFFWWAMJHIK-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide (PubChem CID 113165787) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
PubChem CID113165787
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H27N3O2/c1-16(22)21(10-6-9-17-7-4-3-5-8-17)15-18(23)20-13-11-19(2)12-14-20/h3-5,7-8H,6,9-15H2,1-2H3
InChIKeyDJFGFFWWAMJHIK-UHFFFAOYSA-N
XLogP1.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]-N-(2-phenylethyl)acetamide
CID 75393059
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 45374408
1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165843
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117056

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide (CID 113165787) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide is CC(=O)N(CCCc1ccccc1)CC(=O)N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide?
The InChIKey is DJFGFFWWAMJHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-16(22)21(10-6-9-17-7-4-3-5-8-17)15-18(23)20-13-11-19(2)12-14-20/h3-5,7-8H,6,9-15H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113165787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).