(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C22H27FN2O2 — CID 38105345

IUPAC(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H27FN2O2/c1-24(14-17-7-11-21(27-2)12-8-17)22(26)19-4-3-13-25(16-19)15-18-5-9-20(23)10-6-18/h5-12,19H,3-4,13-16H2,1-2H3/t19-/m0/s1
InChIKeyZNIWWLJFSFKPMR-IBGZPJMESA-N
MW370.47 g/mol
LogP3.70
Rot. Bonds6

About (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 38105345) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID38105345
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H27FN2O2/c1-24(14-17-7-11-21(27-2)12-8-17)22(26)19-4-3-13-25(16-19)15-18-5-9-20(23)10-6-18/h5-12,19H,3-4,13-16H2,1-2H3/t19-/m0/s1
InChIKeyZNIWWLJFSFKPMR-IBGZPJMESA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926170
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
N-[(4-methoxyphenyl)methyl]-N,1-dimethylpiperidine-3-carboxamide
CID 132649734
N-[(4-methoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930943
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100777734
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 100777740

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 38105345) is (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ZNIWWLJFSFKPMR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-24(14-17-7-11-21(27-2)12-8-17)22(26)19-4-3-13-25(16-19)15-18-5-9-20(23)10-6-18/h5-12,19H,3-4,13-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 38105345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).