[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride

C19H29ClN4O3 — CID 67706422

IUPAC[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride
SMILESCC(OC(=O)CC1CCNCC1)C(=O)N1CCN(c2ccncc2)CC1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-15(26-18(24)14-16-2-6-20-7-3-16)19(25)23-12-10-22(11-13-23)17-4-8-21-9-5-17;/h4-5,8-9,15-16,20H,2-3,6-7,10-14H2,1H3;1H
InChIKeyZKNWOVGZSXQKLK-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.47
Rot. Bonds5

About [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride

[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride (PubChem CID 67706422) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride.

Molecular Properties

Compound Name[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride
PubChem CID67706422
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC Name[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride
SMILESCC(OC(=O)CC1CCNCC1)C(=O)N1CCN(c2ccncc2)CC1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-15(26-18(24)14-16-2-6-20-7-3-16)19(25)23-12-10-22(11-13-23)17-4-8-21-9-5-17;/h4-5,8-9,15-16,20H,2-3,6-7,10-14H2,1H3;1H
InChIKeyZKNWOVGZSXQKLK-UHFFFAOYSA-N
XLogP1.47
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride?
The IUPAC name of [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride (CID 67706422) is [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride.
What is the SMILES notation for [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride?
The canonical SMILES for [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride is CC(OC(=O)CC1CCNCC1)C(=O)N1CCN(c2ccncc2)CC1.Cl.
What is the InChIKey of [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride?
The InChIKey is ZKNWOVGZSXQKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c1-15(26-18(24)14-16-2-6-20-7-3-16)19(25)23-12-10-22(11-13-23)17-4-8-21-9-5-17;/h4-5,8-9,15-16,20H,2-3,6-7,10-14H2,1H3;1H.
What are the key properties of [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride?
[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride is sourced from PubChem (CID 67706422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).