1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide

C16H22FN3O3 — CID 94492379

IUPAC1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc([C@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H22FN3O3/c1-10(12-3-4-14(23-2)13(17)9-12)19-16(22)20-7-5-11(6-8-20)15(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21)(H,19,22)/t10-/m0/s1
InChIKeyOTJFIOKYLOWLSY-JTQLQIEISA-N
MW323.37 g/mol
LogP1.80
Rot. Bonds4

About 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide

1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 94492379) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID94492379
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc([C@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H22FN3O3/c1-10(12-3-4-14(23-2)13(17)9-12)19-16(22)20-7-5-11(6-8-20)15(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21)(H,19,22)/t10-/m0/s1
InChIKeyOTJFIOKYLOWLSY-JTQLQIEISA-N
XLogP1.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 56808444
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 119034624
(9aS)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 129423824
methyl 1-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]carbamoyl]piperidine-4-carboxylate
CID 124562986
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
(5R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1,4-thiazepane-4-carboxamide
CID 99794946
4-benzyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 87002643
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948
(3S)-3-hydroxy-N-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 100693227
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 51275131

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide (CID 94492379) is 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide is COc1ccc([C@H](C)NC(=O)N2CCC(C(N)=O)CC2)cc1F.
What is the InChIKey of 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is OTJFIOKYLOWLSY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-10(12-3-4-14(23-2)13(17)9-12)19-16(22)20-7-5-11(6-8-20)15(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21)(H,19,22)/t10-/m0/s1.
What are the key properties of 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 94492379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).