N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide

C25H30FN3O — CID 11509733

IUPACN-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(F)c2)CC1)C1=Cc2ccccc2CC1
InChIInChI=1S/C25H30FN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-9,18-19H,3-4,10-17H2,(H,27,30)
InChIKeyJTOBKZHUBWFJBW-UHFFFAOYSA-N
MW407.53 g/mol
LogP3.87
Rot. Bonds7

About N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide

N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 11509733) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide
PubChem CID11509733
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(F)c2)CC1)C1=Cc2ccccc2CC1
InChIInChI=1S/C25H30FN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-9,18-19H,3-4,10-17H2,(H,27,30)
InChIKeyJTOBKZHUBWFJBW-UHFFFAOYSA-N
XLogP3.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide
CID 68863998
6-fluoro-N-[4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178309
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
2-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 146444216
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 89099753
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide
CID 59178325
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoro-2H-chromene-3-carboxamide
CID 59178312
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513204
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide (CID 11509733) is N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide is O=C(NCCCCN1CCN(c2cccc(F)c2)CC1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide?
The InChIKey is JTOBKZHUBWFJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-9,18-19H,3-4,10-17H2,(H,27,30).
What are the key properties of N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide?
N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 407.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 11509733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).