N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

C24H30N4O3 — CID 3239227

IUPACN-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C24H30N4O3/c29-23(19-8-10-20(11-9-19)26-24(30)22-7-4-18-31-22)25-12-13-27-14-16-28(17-15-27)21-5-2-1-3-6-21/h1-3,5-6,8-11,22H,4,7,12-18H2,(H,25,29)(H,26,30)
InChIKeyGAORCKHGIUCXGE-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.36
Rot. Bonds7

About N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 3239227) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID3239227
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C24H30N4O3/c29-23(19-8-10-20(11-9-19)26-24(30)22-7-4-18-31-22)25-12-13-27-14-16-28(17-15-27)21-5-2-1-3-6-21/h1-3,5-6,8-11,22H,4,7,12-18H2,(H,25,29)(H,26,30)
InChIKeyGAORCKHGIUCXGE-UHFFFAOYSA-N
XLogP2.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 3239227) is N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is GAORCKHGIUCXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-23(19-8-10-20(11-9-19)26-24(30)22-7-4-18-31-22)25-12-13-27-14-16-28(17-15-27)21-5-2-1-3-6-21/h1-3,5-6,8-11,22H,4,7,12-18H2,(H,25,29)(H,26,30).
What are the key properties of N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3239227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).