4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride

C17H29Cl2N5O2 — CID 119879691

IUPAC4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)N(C)C2CCCN(c3cccnn3)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N5O2.2ClH/c1-21(16(23)17(24-2)7-10-18-11-8-17)14-5-4-12-22(13-14)15-6-3-9-19-20-15;;/h3,6,9,14,18H,4-5,7-8,10-13H2,1-2H3;2*1H
InChIKeyMZSHXKAMVNHIMO-UHFFFAOYSA-N
MW406.36 g/mol
LogP1.52
Rot. Bonds4

About 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 119879691) has the molecular formula C17H29Cl2N5O2 and a molecular weight of 406.36 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
PubChem CID119879691
Molecular FormulaC17H29Cl2N5O2
Molecular Weight406.36 g/mol
Exact Mass405.17
IUPAC Name4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)N(C)C2CCCN(c3cccnn3)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N5O2.2ClH/c1-21(16(23)17(24-2)7-10-18-11-8-17)14-5-4-12-22(13-14)15-6-3-9-19-20-15;;/h3,6,9,14,18H,4-5,7-8,10-13H2,1-2H3;2*1H
InChIKeyMZSHXKAMVNHIMO-UHFFFAOYSA-N
XLogP1.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
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CID 119879699
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 120503791
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119878310
N-cyclopropyl-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119722184
N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 126780099
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174348265
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
CID 120800140
3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 136581356
3-[(2-fluoro-5-methylphenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 174344336

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride (CID 119879691) is 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)N(C)C2CCCN(c3cccnn3)C2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is MZSHXKAMVNHIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2.2ClH/c1-21(16(23)17(24-2)7-10-18-11-8-17)14-5-4-12-22(13-14)15-6-3-9-19-20-15;;/h3,6,9,14,18H,4-5,7-8,10-13H2,1-2H3;2*1H.
What are the key properties of 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 406.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119879691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).