N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

C17H27N3O2 — CID 17401834

IUPACN-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-4-14(2)18-17(21)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)22-3/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,18,21)
InChIKeyWLEUTYVWVCJQOP-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.73
Rot. Bonds6

About N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 17401834) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID17401834
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-4-14(2)18-17(21)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)22-3/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,18,21)
InChIKeyWLEUTYVWVCJQOP-UHFFFAOYSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 38126163
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592393
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46561424
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 17401834) is N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is WLEUTYVWVCJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-14(2)18-17(21)13-19-8-10-20(11-9-19)15-6-5-7-16(12-15)22-3/h5-7,12,14H,4,8-11,13H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17401834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).