3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide

C16H25N3O3 — CID 772697

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-22-15-4-2-3-14(13-15)17-16(21)5-6-18-7-9-19(10-8-18)11-12-20/h2-4,13,20H,5-12H2,1H3,(H,17,21)
InChIKeyWAJCRBAGZXMIPN-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.63
Rot. Bonds7

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide

3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 772697) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID772697
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-22-15-4-2-3-14(13-15)17-16(21)5-6-18-7-9-19(10-8-18)11-12-20/h2-4,13,20H,5-12H2,1H3,(H,17,21)
InChIKeyWAJCRBAGZXMIPN-UHFFFAOYSA-N
XLogP0.63
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)piperazine
CID 81430
Ucm 793
CID 24750192
N-(3-methoxyphenyl)pivalamide
CID 546358
1-(2,5-Dimethoxyphenyl)piperazine
CID 2758473
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
CID 24750071
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-[2-(4-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750188
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide (CID 772697) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN2CCN(CCO)CC2)c1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is WAJCRBAGZXMIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-22-15-4-2-3-14(13-15)17-16(21)5-6-18-7-9-19(10-8-18)11-12-20/h2-4,13,20H,5-12H2,1H3,(H,17,21).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 772697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).