(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide

C16H25N3O2 — CID 94797572

IUPAC(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CCN2CCN([C@@H](C)C(N)=O)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(16(17)20)19-11-9-18(10-12-19)8-7-14-3-5-15(21-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,20)/t13-/m0/s1
InChIKeyREDJPFDUXNQPJN-ZDUSSCGKSA-N
MW291.40 g/mol
LogP0.73
Rot. Bonds6

About (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide

(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide (PubChem CID 94797572) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
PubChem CID94797572
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CCN2CCN([C@@H](C)C(N)=O)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-13(16(17)20)19-11-9-18(10-12-19)8-7-14-3-5-15(21-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,20)/t13-/m0/s1
InChIKeyREDJPFDUXNQPJN-ZDUSSCGKSA-N
XLogP0.73
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091693
(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30738398
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
CID 111497039
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342094
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110908412
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide (CID 94797572) is (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide is COc1ccc(CCN2CCN([C@@H](C)C(N)=O)CC2)cc1.
What is the InChIKey of (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide?
The InChIKey is REDJPFDUXNQPJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(16(17)20)19-11-9-18(10-12-19)8-7-14-3-5-15(21-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide?
(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 94797572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).