1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide

C25H31FN2O3 — CID 55741772

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)C(C)C)cc1
InChIInChI=1S/C25H31FN2O3/c1-17(2)24(19-8-12-22(31-3)13-9-19)27-25(30)20-5-4-14-28(16-20)23(29)15-18-6-10-21(26)11-7-18/h6-13,17,20,24H,4-5,14-16H2,1-3H3,(H,27,30)
InChIKeyHFEDMUQEKXZHRK-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.13
Rot. Bonds7

About 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide (PubChem CID 55741772) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
PubChem CID55741772
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)C(C)C)cc1
InChIInChI=1S/C25H31FN2O3/c1-17(2)24(19-8-12-22(31-3)13-9-19)27-25(30)20-5-4-14-28(16-20)23(29)15-18-6-10-21(26)11-7-18/h6-13,17,20,24H,4-5,14-16H2,1-3H3,(H,27,30)
InChIKeyHFEDMUQEKXZHRK-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 55748663
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119593429
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
CID 77041744
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55738740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide (CID 55741772) is 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide is COc1ccc(C(NC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)C(C)C)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
The InChIKey is HFEDMUQEKXZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-17(2)24(19-8-12-22(31-3)13-9-19)27-25(30)20-5-4-14-28(16-20)23(29)15-18-6-10-21(26)11-7-18/h6-13,17,20,24H,4-5,14-16H2,1-3H3,(H,27,30).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 55741772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).