ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate

C14H25N3O3 — CID 43130738

IUPACethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)12-4-3-7-17(10-12)13(18)11-16-8-5-15-6-9-16/h12,15H,2-11H2,1H3
InChIKeyIFVBMFJCFFKECQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds4

About ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate

ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate (PubChem CID 43130738) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
PubChem CID43130738
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)12-4-3-7-17(10-12)13(18)11-16-8-5-15-6-9-16/h12,15H,2-11H2,1H3
InChIKeyIFVBMFJCFFKECQ-UHFFFAOYSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55506082
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55409239
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
CID 60963639
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338507
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate (CID 43130738) is ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN2CCNCC2)C1.
What is the InChIKey of ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate?
The InChIKey is IFVBMFJCFFKECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-20-14(19)12-4-3-7-17(10-12)13(18)11-16-8-5-15-6-9-16/h12,15H,2-11H2,1H3.
What are the key properties of ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate?
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 43130738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).