(3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone

C16H18N2O2 — CID 698250

IUPAC(3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C16H18N2O2/c1-17-6-8-18(9-7-17)16(20)14-10-12-4-2-3-5-13(12)11-15(14)19/h2-5,10-11,19H,6-9H2,1H3
InChIKeyUCEUFIKLKSGMQB-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.93
Rot. Bonds1

About (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone

(3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 698250) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID698250
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C16H18N2O2/c1-17-6-8-18(9-7-17)16(20)14-10-12-4-2-3-5-13(12)11-15(14)19/h2-5,10-11,19H,6-9H2,1H3
InChIKeyUCEUFIKLKSGMQB-UHFFFAOYSA-N
XLogP1.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Onalespib
CID 11955716
rel-4-((R)-((2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamide
CID 119029
2-Naphthalenecarboxamide, 3-hydroxy-N-[3-(4-morpholinyl)propyl]-
CID 82414
3-Hydroxy-N-(2-hydroxyethyl)-2-naphthoamide
CID 66722
4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 2494
Benzamide, N-[(2-hydroxy-1-naphthalenyl)methyl]-
CID 796808
3-(Pyrrolidin-1-ylcarbonyl)-2-naphthol
CID 5303039
2-Naphthalenecarboxamide, N-[2-(dimethylamino)ethyl]-3-hydroxy-
CID 3659429
4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide
CID 10252438
N,N-diethyl-4-(4-(3-hydroxyphenyl)-1-phenethylpiperidin-4-yl)benzamide
CID 22729898
(5-Ethyl-2,4-dihydroxyphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone
CID 129121199
3-Hydroxy-2-naphthalenecarboxamide
CID 19317

Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 698250) is (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UCEUFIKLKSGMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-6-8-18(9-7-17)16(20)14-10-12-4-2-3-5-13(12)11-15(14)19/h2-5,10-11,19H,6-9H2,1H3.
What are the key properties of (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone?
(3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 698250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).