propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate

C17H26N2O3 — CID 110186525

IUPACpropan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
SMILESCOc1ccccc1N1CCN(CCC(=O)OC(C)C)CC1
InChIInChI=1S/C17H26N2O3/c1-14(2)22-17(20)8-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)21-3/h4-7,14H,8-13H2,1-3H3
InChIKeyPZIHHTQGXVLINW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.16
Rot. Bonds6

About propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate

propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate (PubChem CID 110186525) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
PubChem CID110186525
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namepropan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
SMILESCOc1ccccc1N1CCN(CCC(=O)OC(C)C)CC1
InChIInChI=1S/C17H26N2O3/c1-14(2)22-17(20)8-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)21-3/h4-7,14H,8-13H2,1-3H3
InChIKeyPZIHHTQGXVLINW-UHFFFAOYSA-N
XLogP2.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 56690048

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
The IUPAC name of propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate (CID 110186525) is propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate.
What is the SMILES notation for propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
The canonical SMILES for propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate is COc1ccccc1N1CCN(CCC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
The InChIKey is PZIHHTQGXVLINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14(2)22-17(20)8-9-18-10-12-19(13-11-18)15-6-4-5-7-16(15)21-3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate?
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate has a molecular weight of 306.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 110186525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).