ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate

C19H28N4O3 — CID 11035788

IUPACethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)C2(c3cccnc3)CCNCC2)CC1
InChIInChI=1S/C19H28N4O3/c1-2-26-17(24)15-22-10-12-23(13-11-22)18(25)19(5-8-20-9-6-19)16-4-3-7-21-14-16/h3-4,7,14,20H,2,5-6,8-13,15H2,1H3
InChIKeyZAPLDVIWCIAVCX-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.41
Rot. Bonds5

About ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate

ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate (PubChem CID 11035788) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate
PubChem CID11035788
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)C2(c3cccnc3)CCNCC2)CC1
InChIInChI=1S/C19H28N4O3/c1-2-26-17(24)15-22-10-12-23(13-11-22)18(25)19(5-8-20-9-6-19)16-4-3-7-21-14-16/h3-4,7,14,20H,2,5-6,8-13,15H2,1H3
InChIKeyZAPLDVIWCIAVCX-UHFFFAOYSA-N
XLogP0.41
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate (CID 11035788) is ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)C2(c3cccnc3)CCNCC2)CC1.
What is the InChIKey of ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate?
The InChIKey is ZAPLDVIWCIAVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-2-26-17(24)15-22-10-12-23(13-11-22)18(25)19(5-8-20-9-6-19)16-4-3-7-21-14-16/h3-4,7,14,20H,2,5-6,8-13,15H2,1H3.
What are the key properties of ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate?
ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate has a molecular weight of 360.46 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-pyridin-3-ylpiperidine-4-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 11035788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).