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

C19H31N3O2 — CID 134045424

IUPACN-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-17(2)20-19(23)16-22-13-11-21(12-14-22)10-7-15-24-18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,20,23)
InChIKeyHFVNZFUWOBTDTQ-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.99
Rot. Bonds9

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

N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide (PubChem CID 134045424) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
PubChem CID134045424
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-17(2)20-19(23)16-22-13-11-21(12-14-22)10-7-15-24-18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,20,23)
InChIKeyHFVNZFUWOBTDTQ-UHFFFAOYSA-N
XLogP1.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.99
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-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide (CID 134045424) is N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide?
The InChIKey is HFVNZFUWOBTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-17(2)20-19(23)16-22-13-11-21(12-14-22)10-7-15-24-18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,20,23).
What are the key properties of N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.99, 9 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-phenoxypropyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134045424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).