1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone

C18H27N5O2 — CID 95846960

IUPAC1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C[C@@H]3CCCN(C(C)=O)C3)nn2)CC1
InChIInChI=1S/C18H27N5O2/c1-14(24)21-8-10-22(11-9-21)18-6-5-17(19-20-18)12-16-4-3-7-23(13-16)15(2)25/h5-6,16H,3-4,7-13H2,1-2H3/t16-/m0/s1
InChIKeySRSJXYCRJAUBTR-INIZCTEOSA-N
MW345.45 g/mol
LogP0.95
Rot. Bonds3

About 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone

1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 95846960) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID95846960
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C[C@@H]3CCCN(C(C)=O)C3)nn2)CC1
InChIInChI=1S/C18H27N5O2/c1-14(24)21-8-10-22(11-9-21)18-6-5-17(19-20-18)12-16-4-3-7-23(13-16)15(2)25/h5-6,16H,3-4,7-13H2,1-2H3/t16-/m0/s1
InChIKeySRSJXYCRJAUBTR-INIZCTEOSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110255801
2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110271601
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
CID 110271511
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
CID 110271581
1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
CID 124948806
1-[4-[(6-chloropyridazin-3-yl)methyl]azepan-1-yl]ethanone
CID 66510068
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide
CID 95846984
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone (CID 95846960) is 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C[C@@H]3CCCN(C(C)=O)C3)nn2)CC1.
What is the InChIKey of 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is SRSJXYCRJAUBTR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(24)21-8-10-22(11-9-21)18-6-5-17(19-20-18)12-16-4-3-7-23(13-16)15(2)25/h5-6,16H,3-4,7-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95846960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).