N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride

C21H35Cl2N3O3 — CID 154900232

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)C(=O)C2CNCCO2)cc1.Cl.Cl
InChIInChI=1S/C21H33N3O3.2ClH/c1-23-11-7-18(8-12-23)16-24(21(25)20-15-22-10-14-27-20)13-9-17-3-5-19(26-2)6-4-17;;/h3-6,18,20,22H,7-16H2,1-2H3;2*1H
InChIKeyGGCUSNKOWRBCSY-UHFFFAOYSA-N
MW448.44 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride

N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 154900232) has the molecular formula C21H35Cl2N3O3 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID154900232
Molecular FormulaC21H35Cl2N3O3
Molecular Weight448.44 g/mol
Exact Mass447.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCOc1ccc(CCN(CC2CCN(C)CC2)C(=O)C2CNCCO2)cc1.Cl.Cl
InChIInChI=1S/C21H33N3O3.2ClH/c1-23-11-7-18(8-12-23)16-24(21(25)20-15-22-10-14-27-20)13-9-17-3-5-19(26-2)6-4-17;;/h3-6,18,20,22H,7-16H2,1-2H3;2*1H
InChIKeyGGCUSNKOWRBCSY-UHFFFAOYSA-N
XLogP2.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119770882
4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 42526208
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 26399408
4-cyano-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 72918434
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 25373827
N-(2-methoxyethyl)-N-(3-phenylpropyl)morpholine-2-carboxamide
CID 119756078
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119759596
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride (CID 154900232) is N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride is COc1ccc(CCN(CC2CCN(C)CC2)C(=O)C2CNCCO2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is GGCUSNKOWRBCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3.2ClH/c1-23-11-7-18(8-12-23)16-24(21(25)20-15-22-10-14-27-20)13-9-17-3-5-19(26-2)6-4-17;;/h3-6,18,20,22H,7-16H2,1-2H3;2*1H.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride?
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 448.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154900232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).