3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide

C22H27FN2O2 — CID 100614102

IUPAC3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C22H27FN2O2/c1-15-10-12-25(13-11-15)19-7-4-17(5-8-19)16(2)24-22(26)18-6-9-21(27-3)20(23)14-18/h4-9,14-16H,10-13H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyDDFMMOWVWJQTCG-MRXNPFEDSA-N
MW370.47 g/mol
LogP4.56
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide

3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide (PubChem CID 100614102) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
PubChem CID100614102
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C22H27FN2O2/c1-15-10-12-25(13-11-15)19-7-4-17(5-8-19)16(2)24-22(26)18-6-9-21(27-3)20(23)14-18/h4-9,14-16H,10-13H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyDDFMMOWVWJQTCG-MRXNPFEDSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
CID 132659687
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
CID 132659686
4-(2,5-dioxopyrrolidin-1-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 51214323
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660324
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132662608
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
CID 132655322

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide (CID 100614102) is 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide is COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is DDFMMOWVWJQTCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15-10-12-25(13-11-15)19-7-4-17(5-8-19)16(2)24-22(26)18-6-9-21(27-3)20(23)14-18/h4-9,14-16H,10-13H2,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 100614102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).