N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride

C18H30Cl2N4O3 — CID 120890644

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccnc2N2CCOCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N4O3.2ClH/c1-24-14-18(4-7-19-8-5-18)13-21-17(23)15-3-2-6-20-16(15)22-9-11-25-12-10-22;;/h2-3,6,19H,4-5,7-14H2,1H3,(H,21,23);2*1H
InChIKeyQBPXZBGZRSNDQV-UHFFFAOYSA-N
MW421.37 g/mol
LogP1.51
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 120890644) has the molecular formula C18H30Cl2N4O3 and a molecular weight of 421.37 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID120890644
Molecular FormulaC18H30Cl2N4O3
Molecular Weight421.37 g/mol
Exact Mass420.17
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccnc2N2CCOCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N4O3.2ClH/c1-24-14-18(4-7-19-8-5-18)13-21-17(23)15-3-2-6-20-16(15)22-9-11-25-12-10-22;;/h2-3,6,19H,4-5,7-14H2,1H3,(H,21,23);2*1H
InChIKeyQBPXZBGZRSNDQV-UHFFFAOYSA-N
XLogP1.51
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 84576380
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 120891040
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135120437

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 120890644) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cccnc2N2CCOCC2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is QBPXZBGZRSNDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3.2ClH/c1-24-14-18(4-7-19-8-5-18)13-21-17(23)15-3-2-6-20-16(15)22-9-11-25-12-10-22;;/h2-3,6,19H,4-5,7-14H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 421.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120890644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).