(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide

C18H28N2O2 — CID 99133321

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-5-17(22-16-11-13(2)10-14(3)12-16)18(21)19-15-6-8-20(4)9-7-15/h10-12,15,17H,5-9H2,1-4H3,(H,19,21)/t17-/m0/s1
InChIKeyKRVXYRPMBLBTPD-KRWDZBQOSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds5

About (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide

(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 99133321) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID99133321
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-5-17(22-16-11-13(2)10-14(3)12-16)18(21)19-15-6-8-20(4)9-7-15/h10-12,15,17H,5-9H2,1-4H3,(H,19,21)/t17-/m0/s1
InChIKeyKRVXYRPMBLBTPD-KRWDZBQOSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712606
(2S)-2-(4-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27233651
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27232899
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 25236012
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)butanamide
CID 100600808
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99818310
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide (CID 99133321) is (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide is CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is KRVXYRPMBLBTPD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-17(22-16-11-13(2)10-14(3)12-16)18(21)19-15-6-8-20(4)9-7-15/h10-12,15,17H,5-9H2,1-4H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 304.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 99133321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).