4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

C18H30ClN3O2 — CID 119445159

IUPAC4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-15(13-16-5-3-4-6-17(16)23-2)14-18(22)20-9-12-21-10-7-19-8-11-21;/h3-6,15,19H,7-14H2,1-2H3,(H,20,22);1H
InChIKeyNIYLUYOXAZBXGL-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.71
Rot. Bonds8

About 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (PubChem CID 119445159) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
PubChem CID119445159
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-15(13-16-5-3-4-6-17(16)23-2)14-18(22)20-9-12-21-10-7-19-8-11-21;/h3-6,15,19H,7-14H2,1-2H3,(H,20,22);1H
InChIKeyNIYLUYOXAZBXGL-UHFFFAOYSA-N
XLogP1.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449852
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
2-(2-ethylphenoxy)-2-phenyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448091
5-[[[4-(2-methoxyphenyl)-3-methylbutanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110632
3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446350
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (CID 119445159) is 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is COc1ccccc1CC(C)CC(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The InChIKey is NIYLUYOXAZBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-15(13-16-5-3-4-6-17(16)23-2)14-18(22)20-9-12-21-10-7-19-8-11-21;/h3-6,15,19H,7-14H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119445159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).