(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide

C21H34N2O2 — CID 99702454

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C21H34N2O2/c1-16(25-19-8-6-18(7-9-19)21(2,3)4)20(24)22-13-10-17-11-14-23(5)15-12-17/h6-9,16-17H,10-15H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyMBLFXKZTMMGUGQ-INIZCTEOSA-N
MW346.52 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide (PubChem CID 99702454) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
PubChem CID99702454
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C21H34N2O2/c1-16(25-19-8-6-18(7-9-19)21(2,3)4)20(24)22-13-10-17-11-14-23(5)15-12-17/h6-9,16-17H,10-15H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyMBLFXKZTMMGUGQ-INIZCTEOSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702455
(2R)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 99972258
(2R)-2-(2-chlorophenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702543
2-(4-tert-butylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445906
(2R)-2-(4-methoxyphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99971602
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
2-[2-[2-(4-tert-butylphenoxy)propanoylamino]ethylsulfanyl]acetic acid
CID 119241322
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide (CID 99702454) is (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide is C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The InChIKey is MBLFXKZTMMGUGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16(25-19-8-6-18(7-9-19)21(2,3)4)20(24)22-13-10-17-11-14-23(5)15-12-17/h6-9,16-17H,10-15H2,1-5H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide has a molecular weight of 346.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide is sourced from PubChem (CID 99702454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).