N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide

C18H29N3O3 — CID 4788921

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O3/c1-4-7-20-8-10-21(11-9-20)14-18(22)19-13-15-5-6-16(23-2)17(12-15)24-3/h5-6,12H,4,7-11,13-14H2,1-3H3,(H,19,22)
InChIKeyKQFWPCBJHPCZRZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.35
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 4788921) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID4788921
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O3/c1-4-7-20-8-10-21(11-9-20)14-18(22)19-13-15-5-6-16(23-2)17(12-15)24-3/h5-6,12H,4,7-11,13-14H2,1-3H3,(H,19,22)
InChIKeyKQFWPCBJHPCZRZ-UHFFFAOYSA-N
XLogP1.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997277
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720971
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)acetamide
CID 70714919
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 60568343
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16597671
ethyl 5-[4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55851645
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
CID 72905576
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55471088

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide (CID 4788921) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is KQFWPCBJHPCZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-7-20-8-10-21(11-9-20)14-18(22)19-13-15-5-6-16(23-2)17(12-15)24-3/h5-6,12H,4,7-11,13-14H2,1-3H3,(H,19,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4788921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).