1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone

C17H25N3O — CID 567074

IUPAC1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c21-17(15-18-9-5-2-6-10-18)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2
InChIKeyWQWCAMVCESGZRP-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone

1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone (PubChem CID 567074) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone
PubChem CID567074
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c21-17(15-18-9-5-2-6-10-18)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2
InChIKeyWQWCAMVCESGZRP-UHFFFAOYSA-N
XLogP1.82
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone (CID 567074) is 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone?
The InChIKey is WQWCAMVCESGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(15-18-9-5-2-6-10-18)20-13-11-19(12-14-20)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone?
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 567074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).