(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone

C16H18N2O — CID 787690

IUPAC(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone
SMILESCN1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H18N2O/c1-17-8-10-18(11-9-17)16(19)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3
InChIKeyOOYDGWHUBKVBPQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.23
Rot. Bonds1

About (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone

(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone (PubChem CID 787690) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone
PubChem CID787690
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone
SMILESCN1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H18N2O/c1-17-8-10-18(11-9-17)16(19)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3
InChIKeyOOYDGWHUBKVBPQ-UHFFFAOYSA-N
XLogP2.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone (CID 787690) is (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone is CN1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is OOYDGWHUBKVBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-8-10-18(11-9-17)16(19)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone?
(4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 254.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 787690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).