methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate

C15H29N3O2 — CID 115537132

IUPACmethyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCN2CCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-20-15(19)5-10-18-13-11-17(12-14-18)9-4-8-16-6-2-3-7-16/h2-14H2,1H3
InChIKeyJAPIBARFAQRWTC-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.65
Rot. Bonds7

About methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate

methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate (PubChem CID 115537132) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
PubChem CID115537132
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCN2CCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-20-15(19)5-10-18-13-11-17(12-14-18)9-4-8-16-6-2-3-7-16/h2-14H2,1H3
InChIKeyJAPIBARFAQRWTC-UHFFFAOYSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
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methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
methyl 3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660761
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
methyl 3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]propanoate
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methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate (CID 115537132) is methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CCCN2CCCC2)CC1.
What is the InChIKey of methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate?
The InChIKey is JAPIBARFAQRWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-20-15(19)5-10-18-13-11-17(12-14-18)9-4-8-16-6-2-3-7-16/h2-14H2,1H3.
What are the key properties of methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate?
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate has a molecular weight of 283.42 g/mol, XLogP of 0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 115537132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).