[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

C21H27N5O2S — CID 86905178

IUPAC[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESCN(c1cccnn1)C1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C21H27N5O2S/c1-24(19-7-2-10-22-23-19)17-8-12-25(13-9-17)20(27)16-5-3-11-26(15-16)21(28)18-6-4-14-29-18/h2,4,6-7,10,14,16-17H,3,5,8-9,11-13,15H2,1H3
InChIKeyHSRNPHUYYDECDB-UHFFFAOYSA-N
MW413.55 g/mol
LogP2.52
Rot. Bonds4

About [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 86905178) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
PubChem CID86905178
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESCN(c1cccnn1)C1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C21H27N5O2S/c1-24(19-7-2-10-22-23-19)17-8-12-25(13-9-17)20(27)16-5-3-11-26(15-16)21(28)18-6-4-14-29-18/h2,4,6-7,10,14,16-17H,3,5,8-9,11-13,15H2,1H3
InChIKeyHSRNPHUYYDECDB-UHFFFAOYSA-N
XLogP2.52
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55862816
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598
N,N-diethyl-2-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55642349
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 86905178) is [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is CN(c1cccnn1)C1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1.
What is the InChIKey of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is HSRNPHUYYDECDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-24(19-7-2-10-22-23-19)17-8-12-25(13-9-17)20(27)16-5-3-11-26(15-16)21(28)18-6-4-14-29-18/h2,4,6-7,10,14,16-17H,3,5,8-9,11-13,15H2,1H3.
What are the key properties of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 413.55 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 86905178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).