ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate

C14H24N2O3 — CID 103484200

IUPACethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCN(C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)6-5-13(17)11-15-7-9-16(10-8-15)12-3-4-12/h12H,2-11H2,1H3
InChIKeyTVRXDPCONCUYPJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.68
Rot. Bonds7

About ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate

ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate (PubChem CID 103484200) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
PubChem CID103484200
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCN(C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)6-5-13(17)11-15-7-9-16(10-8-15)12-3-4-12/h12H,2-11H2,1H3
InChIKeyTVRXDPCONCUYPJ-UHFFFAOYSA-N
XLogP0.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490
ethyl 5-(3-aminopiperidin-1-yl)-4-oxopentanoate
CID 103484354
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
CID 103484627
ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
CID 103484634
ethyl 5-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-oxopentanoate
CID 107456942
2-(4-cyclopropylpiperazin-1-yl)acetohydrazide
CID 63579683
ethyl 4-(4-methylpiperidin-1-yl)-3-oxobutanoate
CID 60723053
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
CID 15818985
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
CID 103484289

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate (CID 103484200) is ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)CN1CCN(C2CC2)CC1.
What is the InChIKey of ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate?
The InChIKey is TVRXDPCONCUYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-14(18)6-5-13(17)11-15-7-9-16(10-8-15)12-3-4-12/h12H,2-11H2,1H3.
What are the key properties of ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate?
ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate has a molecular weight of 268.36 g/mol, XLogP of 0.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate is sourced from PubChem (CID 103484200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).