(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide

C17H26N2O2 — CID 95119203

IUPAC(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-16(21-15-7-5-6-13(2)12-15)17(20)18-14-8-10-19(3)11-9-14/h5-7,12,14,16H,4,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyOTPQQDPORGXBLQ-INIZCTEOSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide

(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 95119203) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID95119203
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-16(21-15-7-5-6-13(2)12-15)17(20)18-14-8-10-19(3)11-9-14/h5-7,12,14,16H,4,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyOTPQQDPORGXBLQ-INIZCTEOSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
(2R)-2-(3-methylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99818310
(2S)-2-(4-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27233651
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27232899
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
(2R)-2-(3-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28636778
(2S)-2-(3-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28636781
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)butanamide
CID 100600808
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
CID 17034466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide (CID 95119203) is (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is OTPQQDPORGXBLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-16(21-15-7-5-6-13(2)12-15)17(20)18-14-8-10-19(3)11-9-14/h5-7,12,14,16H,4,8-11H2,1-3H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 95119203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).