(4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate

C19H28N4O3 — CID 67706408

IUPAC(4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate
SMILESCCC(=O)C(C(=O)ON1CCN(c2ccncc2)CC1)C1CCNCC1
InChIInChI=1S/C19H28N4O3/c1-2-17(24)18(15-3-7-20-8-4-15)19(25)26-23-13-11-22(12-14-23)16-5-9-21-10-6-16/h5-6,9-10,15,18,20H,2-4,7-8,11-14H2,1H3
InChIKeyOSDRNTURWWBBFY-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.26
Rot. Bonds6

About (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate

(4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate (PubChem CID 67706408) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate
PubChem CID67706408
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate
SMILESCCC(=O)C(C(=O)ON1CCN(c2ccncc2)CC1)C1CCNCC1
InChIInChI=1S/C19H28N4O3/c1-2-17(24)18(15-3-7-20-8-4-15)19(25)26-23-13-11-22(12-14-23)16-5-9-21-10-6-16/h5-6,9-10,15,18,20H,2-4,7-8,11-14H2,1H3
InChIKeyOSDRNTURWWBBFY-UHFFFAOYSA-N
XLogP1.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(4-pyridin-4-ylpiperazin-1-yl) propanedioate
CID 67706366
ethyl 2-piperidin-4-yl-4-pyridin-4-ylpiperazine-1-carboxylate
CID 91350585
3-oxo-2-(piperidin-4-ylmethyl)-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 22378018
[4-(4-benzylpiperidin-1-yl)piperazin-1-yl] 3-oxo-2-piperidin-4-ylbutanoate
CID 67598608
3-oxo-2-piperidin-4-yl-2-(4-pyridin-4-ylpiperazin-1-yl)heptanoic acid
CID 67706362
[1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 2-piperidin-4-ylacetate;hydrochloride
CID 67706422
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
CID 22721820
(2S)-2-amino-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 129072550
ethyl 5-(4-pyridin-4-ylpiperazin-1-yl)pentanoate
CID 21462657
2-[4-[4-[amino(piperidin-4-yl)methyl]piperidin-1-yl]phenoxy]acetic acid
CID 67597157

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate?
The IUPAC name of (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate (CID 67706408) is (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate.
What is the SMILES notation for (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate?
The canonical SMILES for (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate is CCC(=O)C(C(=O)ON1CCN(c2ccncc2)CC1)C1CCNCC1.
What is the InChIKey of (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate?
The InChIKey is OSDRNTURWWBBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-2-17(24)18(15-3-7-20-8-4-15)19(25)26-23-13-11-22(12-14-23)16-5-9-21-10-6-16/h5-6,9-10,15,18,20H,2-4,7-8,11-14H2,1H3.
What are the key properties of (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate?
(4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate has a molecular weight of 360.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperazin-1-yl) 3-oxo-2-piperidin-4-ylpentanoate is sourced from PubChem (CID 67706408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).