4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

C19H31Cl2N3O3 — CID 119847386

IUPAC4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2cccc(CN3CCOCC3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-24-19(5-7-20-8-6-19)18(23)21-14-16-3-2-4-17(13-16)15-22-9-11-25-12-10-22;;/h2-4,13,20H,5-12,14-15H2,1H3,(H,21,23);2*1H
InChIKeyHGVYGJPJNTZYAP-UHFFFAOYSA-N
MW420.38 g/mol
LogP1.75
Rot. Bonds6

About 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119847386) has the molecular formula C19H31Cl2N3O3 and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119847386
Molecular FormulaC19H31Cl2N3O3
Molecular Weight420.38 g/mol
Exact Mass419.17
IUPAC Name4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCc2cccc(CN3CCOCC3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C19H29N3O3.2ClH/c1-24-19(5-7-20-8-6-19)18(23)21-14-16-3-2-4-17(13-16)15-22-9-11-25-12-10-22;;/h2-4,13,20H,5-12,14-15H2,1H3,(H,21,23);2*1H
InChIKeyHGVYGJPJNTZYAP-UHFFFAOYSA-N
XLogP1.75
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
4-methoxy-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853784
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862872
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
4-methoxy-N-[4-(2-morpholin-4-ylethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119860967
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119710766
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (CID 119847386) is 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCc2cccc(CN3CCOCC3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is HGVYGJPJNTZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.2ClH/c1-24-19(5-7-20-8-6-19)18(23)21-14-16-3-2-4-17(13-16)15-22-9-11-25-12-10-22;;/h2-4,13,20H,5-12,14-15H2,1H3,(H,21,23);2*1H.
What are the key properties of 4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 1.75, 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-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119847386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).