(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide

C17H26ClN3O2 — CID 95604391

IUPAC(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(21-9-7-20(3)8-10-21)12-19-17(22)14(2)23-16-6-4-5-15(18)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyVCCCWFAIJNWWQT-UONOGXRCSA-N
MW339.87 g/mol
LogP1.86
Rot. Bonds6

About (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide

(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 95604391) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID95604391
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-13(21-9-7-20(3)8-10-21)12-19-17(22)14(2)23-16-6-4-5-15(18)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyVCCCWFAIJNWWQT-UONOGXRCSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
2-(3-chlorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813833
2-[[2-(3-chlorophenoxy)propanoylamino]methyl]butanoic acid
CID 65220537
3-[2-(3-chlorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107230
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
5-[2-(3-chlorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82012987
2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 109388933

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide (CID 95604391) is (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is VCCCWFAIJNWWQT-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13(21-9-7-20(3)8-10-21)12-19-17(22)14(2)23-16-6-4-5-15(18)11-16/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,22)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 339.87 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 95604391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).