1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide

C18H26N2O3 — CID 92682966

IUPAC1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-4-15(23-16-11-12(2)5-6-13(16)3)18(22)20-9-7-14(8-10-20)17(19)21/h5-6,11,14-15H,4,7-10H2,1-3H3,(H2,19,21)/t15-/m0/s1
InChIKeyKJKOIINSEYIXCX-HNNXBMFYSA-N
MW318.42 g/mol
LogP2.18
Rot. Bonds5

About 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide

1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide (PubChem CID 92682966) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide
PubChem CID92682966
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-4-15(23-16-11-12(2)5-6-13(16)3)18(22)20-9-7-14(8-10-20)17(19)21/h5-6,11,14-15H,4,7-10H2,1-3H3,(H2,19,21)/t15-/m0/s1
InChIKeyKJKOIINSEYIXCX-HNNXBMFYSA-N
XLogP2.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 92676689
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
CID 43905979
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
CID 38016294
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
ethyl 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 99951586
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
CID 92672498
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(2,4-dimethylphenoxy)butan-1-one
CID 132661393
(2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 94019570
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylphenoxy)butan-1-one
CID 111781944

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide (CID 92682966) is 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide is CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide?
The InChIKey is KJKOIINSEYIXCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-15(23-16-11-12(2)5-6-13(16)3)18(22)20-9-7-14(8-10-20)17(19)21/h5-6,11,14-15H,4,7-10H2,1-3H3,(H2,19,21)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide?
1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 92682966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).