1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide

C23H28ClFN2O2 — CID 45015752

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1
InChIInChI=1S/C23H28ClFN2O2/c1-29-19-7-2-5-17(15-19)6-4-12-26-23(28)18-10-13-27(14-11-18)16-20-21(24)8-3-9-22(20)25/h2-3,5,7-9,15,18H,4,6,10-14,16H2,1H3,(H,26,28)
InChIKeyGMYDPKAVTIDANZ-UHFFFAOYSA-N
MW418.94 g/mol
LogP4.45
Rot. Bonds8

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide (PubChem CID 45015752) has the molecular formula C23H28ClFN2O2 and a molecular weight of 418.94 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
PubChem CID45015752
Molecular FormulaC23H28ClFN2O2
Molecular Weight418.94 g/mol
Exact Mass418.18
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1
InChIInChI=1S/C23H28ClFN2O2/c1-29-19-7-2-5-17(15-19)6-4-12-26-23(28)18-10-13-27(14-11-18)16-20-21(24)8-3-9-22(20)25/h2-3,5,7-9,15,18H,4,6,10-14,16H2,1H3,(H,26,28)
InChIKeyGMYDPKAVTIDANZ-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.94
LogP ≤ 54.45
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

1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46774026
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 45012835
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
1-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46773556
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 18208594
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-(2-tert-butylsulfanylethyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284596
1-[(2,4-dichlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53284653
N-[2-(diethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3152666
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 45013321

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide (CID 45015752) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide is COc1cccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is GMYDPKAVTIDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O2/c1-29-19-7-2-5-17(15-19)6-4-12-26-23(28)18-10-13-27(14-11-18)16-20-21(24)8-3-9-22(20)25/h2-3,5,7-9,15,18H,4,6,10-14,16H2,1H3,(H,26,28).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 418.94 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 45015752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).