N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide

C16H25N3O2 — CID 60944727

IUPACN-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
SMILESCN(CCCOc1ccccc1)C(=O)CN1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-18(16(20)14-19-11-8-17-9-12-19)10-5-13-21-15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyYXKHYMOHYUWXGT-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.82
Rot. Bonds7

About N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide

N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide (PubChem CID 60944727) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
PubChem CID60944727
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
SMILESCN(CCCOc1ccccc1)C(=O)CN1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-18(16(20)14-19-11-8-17-9-12-19)10-5-13-21-15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyYXKHYMOHYUWXGT-UHFFFAOYSA-N
XLogP0.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
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-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60501458
N-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]-N-(3-phenoxypropyl)acetamide
CID 60503260
1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903953
N-methyl-2-(2-methylmorpholin-4-yl)-N-(3-phenoxypropyl)acetamide
CID 60507580
5-methyl-1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121400
2-(1,4-diazepan-1-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119907050
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60508939
methyl 4-[methyl-(2-piperazin-1-ylacetyl)amino]butanoate
CID 54944719
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
1-(3-phenoxypropyl)piperazine
CID 2760351

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide (CID 60944727) is N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide is CN(CCCOc1ccccc1)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide?
The InChIKey is YXKHYMOHYUWXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(16(20)14-19-11-8-17-9-12-19)10-5-13-21-15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-14H2,1H3.
What are the key properties of N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide?
N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide has a molecular weight of 291.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60944727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).