(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C24H27N5O3S — CID 649950

IUPAC(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H27N5O3S/c30-23(27-14-16-28(17-15-27)24-25-10-3-11-26-24)20-8-12-29(13-9-20)33(31,32)22-7-6-19-4-1-2-5-21(19)18-22/h1-7,10-11,18,20H,8-9,12-17H2
InChIKeyYQAIJAIHGQFCME-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.38
Rot. Bonds4

About (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 649950) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID649950
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H27N5O3S/c30-23(27-14-16-28(17-15-27)24-25-10-3-11-26-24)20-8-12-29(13-9-20)33(31,32)22-7-6-19-4-1-2-5-21(19)18-22/h1-7,10-11,18,20H,8-9,12-17H2
InChIKeyYQAIJAIHGQFCME-UHFFFAOYSA-N
XLogP2.38
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 649950) is (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YQAIJAIHGQFCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c30-23(27-14-16-28(17-15-27)24-25-10-3-11-26-24)20-8-12-29(13-9-20)33(31,32)22-7-6-19-4-1-2-5-21(19)18-22/h1-7,10-11,18,20H,8-9,12-17H2.
What are the key properties of (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 465.58 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 649950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).