naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone

C20H19N3O — CID 31565762

IUPACnaphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H19N3O/c24-20(19-7-3-5-16-4-1-2-6-18(16)19)23-14-12-22(13-15-23)17-8-10-21-11-9-17/h1-11H,12-15H2
InChIKeyXFYYJQGVUFRPFQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.20
Rot. Bonds2

About naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone

naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 31565762) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID31565762
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namenaphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H19N3O/c24-20(19-7-3-5-16-4-1-2-6-18(16)19)23-14-12-22(13-15-23)17-8-10-21-11-9-17/h1-11H,12-15H2
InChIKeyXFYYJQGVUFRPFQ-UHFFFAOYSA-N
XLogP3.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053800
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
3-(4-pyridin-4-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 56810086
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 91624333
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 56941689
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
CID 22399413
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 31565762) is naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1cccc2ccccc12)N1CCN(c2ccncc2)CC1.
What is the InChIKey of naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is XFYYJQGVUFRPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(19-7-3-5-16-4-1-2-6-18(16)19)23-14-12-22(13-15-23)17-8-10-21-11-9-17/h1-11H,12-15H2.
What are the key properties of naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 31565762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).