4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride

C19H25Cl2N3O3 — CID 119846179

IUPAC4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2cccc(OCc3cccnc3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H23N3O3.2ClH/c1-24-19(7-10-20-11-8-19)18(23)22-16-5-2-6-17(12-16)25-14-15-4-3-9-21-13-15;;/h2-6,9,12-13,20H,7-8,10-11,14H2,1H3,(H,22,23);2*1H
InChIKeyMMPWBSQRUVEGOY-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.21
Rot. Bonds6

About 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119846179) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119846179
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC Name4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2cccc(OCc3cccnc3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H23N3O3.2ClH/c1-24-19(7-10-20-11-8-19)18(23)22-16-5-2-6-17(12-16)25-14-15-4-3-9-21-13-15;;/h2-6,9,12-13,20H,7-8,10-11,14H2,1H3,(H,22,23);2*1H
InChIKeyMMPWBSQRUVEGOY-UHFFFAOYSA-N
XLogP3.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-4-carboxamide
CID 119846112
4-methoxy-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119720324
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858
4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
CID 119894528
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119819398
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 111536786
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119846179) is 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)Nc2cccc(OCc3cccnc3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is MMPWBSQRUVEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.2ClH/c1-24-19(7-10-20-11-8-19)18(23)22-16-5-2-6-17(12-16)25-14-15-4-3-9-21-13-15;;/h2-6,9,12-13,20H,7-8,10-11,14H2,1H3,(H,22,23);2*1H.
What are the key properties of 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 414.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119846179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).