4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide

C23H29FN4O — CID 113114501

IUPAC4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)N3CCN(c4cccc(F)c4)CC3)cc2)CC1
InChIInChI=1S/C23H29FN4O/c1-18-9-11-26(12-10-18)21-7-5-20(6-8-21)25-23(29)28-15-13-27(14-16-28)22-4-2-3-19(24)17-22/h2-8,17-18H,9-16H2,1H3,(H,25,29)
InChIKeyGJMNSQXJGGDMDR-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.42
Rot. Bonds3

About 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide

4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 113114501) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID113114501
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)N3CCN(c4cccc(F)c4)CC3)cc2)CC1
InChIInChI=1S/C23H29FN4O/c1-18-9-11-26(12-10-18)21-7-5-20(6-8-21)25-23(29)28-15-13-27(14-16-28)22-4-2-3-19(24)17-22/h2-8,17-18H,9-16H2,1H3,(H,25,29)
InChIKeyGJMNSQXJGGDMDR-UHFFFAOYSA-N
XLogP4.42
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 136559164
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352661
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 55697273
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
4-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 78875012

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide (CID 113114501) is 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide is CC1CCN(c2ccc(NC(=O)N3CCN(c4cccc(F)c4)CC3)cc2)CC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is GJMNSQXJGGDMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-18-9-11-26(12-10-18)21-7-5-20(6-8-21)25-23(29)28-15-13-27(14-16-28)22-4-2-3-19(24)17-22/h2-8,17-18H,9-16H2,1H3,(H,25,29).
What are the key properties of 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide?
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113114501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).