1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide

C22H26FN3O2 — CID 52999016

IUPAC1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-7-9-17(10-8-16)15-24-20(27)22(2)11-13-26(14-12-22)21(28)25-19-6-4-3-5-18(19)23/h3-10H,11-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyUGDDUQWWUYZFJR-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.08
Rot. Bonds4

About 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide

1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 52999016) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID52999016
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-7-9-17(10-8-16)15-24-20(27)22(2)11-13-26(14-12-22)21(28)25-19-6-4-3-5-18(19)23/h3-10H,11-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyUGDDUQWWUYZFJR-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
CID 53070861
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 53070862
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
(3S)-1-N-(3-chloro-2-methylphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087988
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide (CID 52999016) is 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide is Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is UGDDUQWWUYZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-7-9-17(10-8-16)15-24-20(27)22(2)11-13-26(14-12-22)21(28)25-19-6-4-3-5-18(19)23/h3-10H,11-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 52999016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).