naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C24H27N5O — CID 121053800

IUPACnaphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C24H27N5O/c30-24(21-10-6-8-19-7-2-3-9-20(19)21)29-17-15-28(16-18-29)23-12-11-22(25-26-23)27-13-4-1-5-14-27/h2-3,6-12H,1,4-5,13-18H2
InChIKeyYIFFVTHNFUNCMQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.58
Rot. Bonds3

About naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121053800) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121053800
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Namenaphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C24H27N5O/c30-24(21-10-6-8-19-7-2-3-9-20(19)21)29-17-15-28(16-18-29)23-12-11-22(25-26-23)27-13-4-1-5-14-27/h2-3,6-12H,1,4-5,13-18H2
InChIKeyYIFFVTHNFUNCMQ-UHFFFAOYSA-N
XLogP3.58
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122334401
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121038209
naphthalen-1-yl-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 5174506
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121053800) is naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cccc2ccccc12)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is YIFFVTHNFUNCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c30-24(21-10-6-8-19-7-2-3-9-20(19)21)29-17-15-28(16-18-29)23-12-11-22(25-26-23)27-13-4-1-5-14-27/h2-3,6-12H,1,4-5,13-18H2.
What are the key properties of naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121053800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).