N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride

C20H33Cl2N3O2 — CID 154893914

IUPACN-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride
SMILESCN1CCC(N(CCc2ccccc2)C(=O)CC2COCCN2)CC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-22-11-8-19(9-12-22)23(13-7-17-5-3-2-4-6-17)20(24)15-18-16-25-14-10-21-18;;/h2-6,18-19,21H,7-16H2,1H3;2*1H
InChIKeyURVRYGIHIVUENI-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.37
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride

N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride (PubChem CID 154893914) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride
PubChem CID154893914
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC NameN-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride
SMILESCN1CCC(N(CCc2ccccc2)C(=O)CC2COCCN2)CC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-22-11-8-19(9-12-22)23(13-7-17-5-3-2-4-6-17)20(24)15-18-16-25-14-10-21-18;;/h2-6,18-19,21H,7-16H2,1H3;2*1H
InChIKeyURVRYGIHIVUENI-UHFFFAOYSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
CID 56896686
3-(2-phenylethyl)morpholine
CID 54013840
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
N-methyl-2-[(3R)-morpholin-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
CID 96572362
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-methyl-2-morpholin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115178159
2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 70750602
N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 97015367
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 115178144
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride (CID 154893914) is N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride is CN1CCC(N(CCc2ccccc2)C(=O)CC2COCCN2)CC1.Cl.Cl.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride?
The InChIKey is URVRYGIHIVUENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-22-11-8-19(9-12-22)23(13-7-17-5-3-2-4-6-17)20(24)15-18-16-25-14-10-21-18;;/h2-6,18-19,21H,7-16H2,1H3;2*1H.
What are the key properties of N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride?
N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 154893914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).