4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride

C21H29Cl2N3O4 — CID 120641960

IUPAC4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H27N3O4.2ClH/c1-26-15-21(8-11-22-12-9-21)20(25)24-14-16-7-10-23-19(13-16)28-18-5-3-17(27-2)4-6-18;;/h3-7,10,13,22H,8-9,11-12,14-15H2,1-2H3,(H,24,25);2*1H
InChIKeyGLGVZBUEIILZME-UHFFFAOYSA-N
MW458.39 g/mol
LogP3.36
Rot. Bonds8

About 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride

4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120641960) has the molecular formula C21H29Cl2N3O4 and a molecular weight of 458.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120641960
Molecular FormulaC21H29Cl2N3O4
Molecular Weight458.39 g/mol
Exact Mass457.15
IUPAC Name4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H27N3O4.2ClH/c1-26-15-21(8-11-22-12-9-21)20(25)24-14-16-7-10-23-19(13-16)28-18-5-3-17(27-2)4-6-18;;/h3-7,10,13,22H,8-9,11-12,14-15H2,1-2H3,(H,24,25);2*1H
InChIKeyGLGVZBUEIILZME-UHFFFAOYSA-N
XLogP3.36
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641782
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
1-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]urea
CID 86998881
2-(cyclopropylmethylamino)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 119847908
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
CID 87005868
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847892
4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 120618507

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride (CID 120641960) is 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is GLGVZBUEIILZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.2ClH/c1-26-15-21(8-11-22-12-9-21)20(25)24-14-16-7-10-23-19(13-16)28-18-5-3-17(27-2)4-6-18;;/h3-7,10,13,22H,8-9,11-12,14-15H2,1-2H3,(H,24,25);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 458.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120641960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).