[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone

C20H20N4O — CID 91624333

IUPAC[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1cncnc1N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H20N4O/c1-15-13-21-14-22-19(15)23-9-11-24(12-10-23)20(25)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13-14H,9-12H2,1H3
InChIKeyDDBUUZODMMSTBV-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.90
Rot. Bonds2

About [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone

[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 91624333) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID91624333
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1cncnc1N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H20N4O/c1-15-13-21-14-22-19(15)23-9-11-24(12-10-23)20(25)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13-14H,9-12H2,1H3
InChIKeyDDBUUZODMMSTBV-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 7539984
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
(2-methyl-3-pyridinyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71986226
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 4095637
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306
naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053800
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
CID 108536410
[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 4200906
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 46679955

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 91624333) is [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone is Cc1cncnc1N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is DDBUUZODMMSTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-13-21-14-22-19(15)23-9-11-24(12-10-23)20(25)18-8-4-6-16-5-2-3-7-17(16)18/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 91624333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).