3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate

C22H28FN3O3 — CID 58904617

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3/c1-2-28-21-7-4-3-6-20(21)24-22(27)29-17-5-12-25-13-15-26(16-14-25)19-10-8-18(23)9-11-19/h3-4,6-11H,2,5,12-17H2,1H3,(H,24,27)
InChIKeyLQAKTRFTUQGFGR-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.99
Rot. Bonds8

About 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate

3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate (PubChem CID 58904617) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
PubChem CID58904617
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3/c1-2-28-21-7-4-3-6-20(21)24-22(27)29-17-5-12-25-13-15-26(16-14-25)19-10-8-18(23)9-11-19/h3-4,6-11H,2,5,12-17H2,1H3,(H,24,27)
InChIKeyLQAKTRFTUQGFGR-UHFFFAOYSA-N
XLogP3.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10073988
2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10099893
2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
CID 42224836
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
2-[4-[3-[3-(diethylamino)propanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10481487
2-(4-ethylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 3072265
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
2-[4-[3-(pyridine-3-carbonylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10345437

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate (CID 58904617) is 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate is CCOc1ccccc1NC(=O)OCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate?
The InChIKey is LQAKTRFTUQGFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-2-28-21-7-4-3-6-20(21)24-22(27)29-17-5-12-25-13-15-26(16-14-25)19-10-8-18(23)9-11-19/h3-4,6-11H,2,5,12-17H2,1H3,(H,24,27).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate?
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate has a molecular weight of 401.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate is sourced from PubChem (CID 58904617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).