(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide

C15H19F2N3O3 — CID 95614768

IUPAC(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCOc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H19F2N3O3/c16-12-4-3-11(8-13(12)17)23-7-5-19-14(21)10-2-1-6-20(9-10)15(18)22/h3-4,8,10H,1-2,5-7,9H2,(H2,18,22)(H,19,21)/t10-/m0/s1
InChIKeyJZLLQMAUJTUMRF-JTQLQIEISA-N
MW327.33 g/mol
LogP1.25
Rot. Bonds5

About (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 95614768) has the molecular formula C15H19F2N3O3 and a molecular weight of 327.33 g/mol. Its IUPAC name is (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
PubChem CID95614768
Molecular FormulaC15H19F2N3O3
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCCOc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H19F2N3O3/c16-12-4-3-11(8-13(12)17)23-7-5-19-14(21)10-2-1-6-20(9-10)15(18)22/h3-4,8,10H,1-2,5-7,9H2,(H2,18,22)(H,19,21)/t10-/m0/s1
InChIKeyJZLLQMAUJTUMRF-JTQLQIEISA-N
XLogP1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355
cis-(1S,3R)-3-[2-(3,4-difluorophenoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124614733
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119320549
1-[2-(4-chloro-3-fluorophenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122016449
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide (CID 95614768) is (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)NCCOc2ccc(F)c(F)c2)C1.
What is the InChIKey of (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is JZLLQMAUJTUMRF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F2N3O3/c16-12-4-3-11(8-13(12)17)23-7-5-19-14(21)10-2-1-6-20(9-10)15(18)22/h3-4,8,10H,1-2,5-7,9H2,(H2,18,22)(H,19,21)/t10-/m0/s1.
What are the key properties of (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 327.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95614768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).