1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide

C18H25FN2O3 — CID 71974024

IUPAC1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCCC(=O)N2CC(C(N)=O)CCC2C)cc1F
InChIInChI=1S/C18H25FN2O3/c1-12-6-8-14(18(20)23)11-21(12)17(22)5-3-4-13-7-9-16(24-2)15(19)10-13/h7,9-10,12,14H,3-6,8,11H2,1-2H3,(H2,20,23)
InChIKeyQEYWQEVYUCIPRV-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.27
Rot. Bonds6

About 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide

1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 71974024) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide
PubChem CID71974024
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCCC(=O)N2CC(C(N)=O)CCC2C)cc1F
InChIInChI=1S/C18H25FN2O3/c1-12-6-8-14(18(20)23)11-21(12)17(22)5-3-4-13-7-9-16(24-2)15(19)10-13/h7,9-10,12,14H,3-6,8,11H2,1-2H3,(H2,20,23)
InChIKeyQEYWQEVYUCIPRV-UHFFFAOYSA-N
XLogP2.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
CID 95584894
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
1-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 97016217
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94482779
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119466699
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 125119654
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide (CID 71974024) is 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide is COc1ccc(CCCC(=O)N2CC(C(N)=O)CCC2C)cc1F.
What is the InChIKey of 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is QEYWQEVYUCIPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-12-6-8-14(18(20)23)11-21(12)17(22)5-3-4-13-7-9-16(24-2)15(19)10-13/h7,9-10,12,14H,3-6,8,11H2,1-2H3,(H2,20,23).
What are the key properties of 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide?
1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-methoxyphenyl)butanoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 71974024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).