N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide

C18H27N3O2 — CID 51077897

IUPACN-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C18H27N3O2/c22-18(16-6-14-23-15-7-16)19-8-9-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,19,22)
InChIKeyICGFWHPAWSCJKN-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide

N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide (PubChem CID 51077897) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
PubChem CID51077897
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C18H27N3O2/c22-18(16-6-14-23-15-7-16)19-8-9-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,19,22)
InChIKeyICGFWHPAWSCJKN-UHFFFAOYSA-N
XLogP1.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide (CID 51077897) is N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)C1CCOCC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide?
The InChIKey is ICGFWHPAWSCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(16-6-14-23-15-7-16)19-8-9-20-10-12-21(13-11-20)17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,19,22).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide?
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 51077897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).