N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide

C20H33N3O2 — CID 60503260

IUPACN-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide
SMILESCC(C)CN1CCN(CC(=O)N(C)CCCOc2ccccc2)CC1
InChIInChI=1S/C20H33N3O2/c1-18(2)16-22-11-13-23(14-12-22)17-20(24)21(3)10-7-15-25-19-8-5-4-6-9-19/h4-6,8-9,18H,7,10-17H2,1-3H3
InChIKeyNNNYARFFBUAGIB-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.19
Rot. Bonds9

About N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide

N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide (PubChem CID 60503260) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide
PubChem CID60503260
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide
SMILESCC(C)CN1CCN(CC(=O)N(C)CCCOc2ccccc2)CC1
InChIInChI=1S/C20H33N3O2/c1-18(2)16-22-11-13-23(14-12-22)17-20(24)21(3)10-7-15-25-19-8-5-4-6-9-19/h4-6,8-9,18H,7,10-17H2,1-3H3
InChIKeyNNNYARFFBUAGIB-UHFFFAOYSA-N
XLogP2.19
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
CID 60944727
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60501458
1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903953
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
N-methyl-2-(2-methylmorpholin-4-yl)-N-(3-phenoxypropyl)acetamide
CID 60507580
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60508939
5-methyl-1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121400
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide?
The IUPAC name of N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide (CID 60503260) is N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide is CC(C)CN1CCN(CC(=O)N(C)CCCOc2ccccc2)CC1.
What is the InChIKey of N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide?
The InChIKey is NNNYARFFBUAGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-18(2)16-22-11-13-23(14-12-22)17-20(24)21(3)10-7-15-25-19-8-5-4-6-9-19/h4-6,8-9,18H,7,10-17H2,1-3H3.
What are the key properties of N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide?
N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 60503260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).