(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

C16H22N4O3 — CID 95100125

IUPAC(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCO1
InChIInChI=1S/C16H22N4O3/c21-15(12-18-16(22)13-4-3-11-23-13)20-9-7-19(8-10-20)14-5-1-2-6-17-14/h1-2,5-6,13H,3-4,7-12H2,(H,18,22)/t13-/m1/s1
InChIKeyIMVAFUDLBHLFMX-CYBMUJFWSA-N
MW318.38 g/mol
LogP0.03
Rot. Bonds4

About (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 95100125) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
PubChem CID95100125
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCO1
InChIInChI=1S/C16H22N4O3/c21-15(12-18-16(22)13-4-3-11-23-13)20-9-7-19(8-10-20)14-5-1-2-6-17-14/h1-2,5-6,13H,3-4,7-12H2,(H,18,22)/t13-/m1/s1
InChIKeyIMVAFUDLBHLFMX-CYBMUJFWSA-N
XLogP0.03
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 45248375
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026
N-(oxolan-2-ylmethyl)-2-[1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide
CID 45147062
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 100909658

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (CID 95100125) is (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is IMVAFUDLBHLFMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-15(12-18-16(22)13-4-3-11-23-13)20-9-7-19(8-10-20)14-5-1-2-6-17-14/h1-2,5-6,13H,3-4,7-12H2,(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?
(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 95100125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).