2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one

C18H29N5O2 — CID 97277077

IUPAC2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC[C@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N5O2/c1-14(2)23-6-4-5-15(13-23)18(25)22-9-7-21(8-10-22)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3/t15-/m0/s1
InChIKeyRYLQXDNTSBKEGS-HNNXBMFYSA-N
MW347.46 g/mol
LogP0.55
Rot. Bonds3

About 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 97277077) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one
PubChem CID97277077
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC[C@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N5O2/c1-14(2)23-6-4-5-15(13-23)18(25)22-9-7-21(8-10-22)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3/t15-/m0/s1
InChIKeyRYLQXDNTSBKEGS-HNNXBMFYSA-N
XLogP0.55
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

5-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 97206841
5-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylpyridazin-3-one
CID 53203901
2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917430
5-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53204011
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
CID 97198787
(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-(1-propan-2-ylpiperidin-3-yl)methanone
CID 72922491
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91777949
2-methyl-5-[4-[(4S)-2,3,4,5-tetrahydro-1-benzoxepine-4-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 97271968
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 28909109
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one (CID 97277077) is 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one is CC(C)N1CCC[C@H](C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1.
What is the InChIKey of 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is RYLQXDNTSBKEGS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)23-6-4-5-15(13-23)18(25)22-9-7-21(8-10-22)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 347.46 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 97277077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).