3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C18H28ClN3O2 — CID 120981473

IUPAC3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1COC(c2ccccc2)CN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-15-14-23-17(16-5-3-2-4-6-16)13-21(15)10-7-18(22)20-11-8-19-9-12-20;/h2-6,15,17,19H,7-14H2,1H3;1H
InChIKeyWZIJKXKEVVSXES-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.69
Rot. Bonds4

About 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981473) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981473
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC1COC(c2ccccc2)CN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-15-14-23-17(16-5-3-2-4-6-16)13-21(15)10-7-18(22)20-11-8-19-9-12-20;/h2-6,15,17,19H,7-14H2,1H3;1H
InChIKeyWZIJKXKEVVSXES-UHFFFAOYSA-N
XLogP1.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981772
3-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120981988
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 125130227
2-(5-methyl-2-phenylmorpholin-4-yl)acetic acid
CID 119135239
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
1-(5-methyl-2-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119769865
3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980885
3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 99106789
3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120980907
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
CID 95621900

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981473) is 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is CC1COC(c2ccccc2)CN1CCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is WZIJKXKEVVSXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-15-14-23-17(16-5-3-2-4-6-16)13-21(15)10-7-18(22)20-11-8-19-9-12-20;/h2-6,15,17,19H,7-14H2,1H3;1H.
What are the key properties of 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).