N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide

C27H47N3O2 — CID 151564182

IUPACN-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide
SMILESCCCCCCCCCCCCCCON(C(=O)CCN1CCNCC1)c1ccccc1
InChIInChI=1S/C27H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-32-30(26-17-14-13-15-18-26)27(31)19-22-29-23-20-28-21-24-29/h13-15,17-18,28H,2-12,16,19-25H2,1H3
InChIKeyQDBOQZCQEGFLLY-UHFFFAOYSA-N
MW445.69 g/mol
LogP5.95
Rot. Bonds18

About N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide

N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide (PubChem CID 151564182) has the molecular formula C27H47N3O2 and a molecular weight of 445.69 g/mol. Its IUPAC name is N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide.

Molecular Properties

Compound NameN-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide
PubChem CID151564182
Molecular FormulaC27H47N3O2
Molecular Weight445.69 g/mol
Exact Mass445.37
IUPAC NameN-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide
SMILESCCCCCCCCCCCCCCON(C(=O)CCN1CCNCC1)c1ccccc1
InChIInChI=1S/C27H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-32-30(26-17-14-13-15-18-26)27(31)19-22-29-23-20-28-21-24-29/h13-15,17-18,28H,2-12,16,19-25H2,1H3
InChIKeyQDBOQZCQEGFLLY-UHFFFAOYSA-N
XLogP5.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pentylpiperazine;toluene
CID 68982278
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1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
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N-ethyl-N-(4-piperazin-1-ylbutyl)aniline
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ethane;1-octylpiperazine
CID 144711845
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
2-(N-octoxyanilino)acetic acid
CID 54571565
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
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butyl 9-piperazin-1-ylnonanoate
CID 155795088

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide?
The IUPAC name of N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide (CID 151564182) is N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide.
What is the SMILES notation for N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide?
The canonical SMILES for N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide is CCCCCCCCCCCCCCON(C(=O)CCN1CCNCC1)c1ccccc1.
What is the InChIKey of N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide?
The InChIKey is QDBOQZCQEGFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-32-30(26-17-14-13-15-18-26)27(31)19-22-29-23-20-28-21-24-29/h13-15,17-18,28H,2-12,16,19-25H2,1H3.
What are the key properties of N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide?
N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide has a molecular weight of 445.69 g/mol, XLogP of 5.95, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-piperazin-1-yl-N-tetradecoxypropanamide is sourced from PubChem (CID 151564182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).