(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone

C18H27N3O2 — CID 120572360

IUPAC(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)C2CN(Cc3ccccc3)CCO2)C1C
InChIInChI=1S/C18H27N3O2/c1-14-15(2)21(9-8-19-14)18(22)17-13-20(10-11-23-17)12-16-6-4-3-5-7-16/h3-7,14-15,17,19H,8-13H2,1-2H3
InChIKeyGFCRRODGPCWTLW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.10
Rot. Bonds3

About (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone

(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120572360) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120572360
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)C2CN(Cc3ccccc3)CCO2)C1C
InChIInChI=1S/C18H27N3O2/c1-14-15(2)21(9-8-19-14)18(22)17-13-20(10-11-23-17)12-16-6-4-3-5-7-16/h3-7,14-15,17,19H,8-13H2,1-2H3
InChIKeyGFCRRODGPCWTLW-UHFFFAOYSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120732756
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 97082294
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570179
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 120571834
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone (CID 120572360) is (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)C2CN(Cc3ccccc3)CCO2)C1C.
What is the InChIKey of (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is GFCRRODGPCWTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-15(2)21(9-8-19-14)18(22)17-13-20(10-11-23-17)12-16-6-4-3-5-7-16/h3-7,14-15,17,19H,8-13H2,1-2H3.
What are the key properties of (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone?
(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120572360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).