1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone

C17H30N2O3 — CID 129343529

IUPAC1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1
InChIInChI=1S/C17H30N2O3/c1-18(11-14-5-6-14)12-16-13-19(7-9-22-16)17(20)10-15-4-2-3-8-21-15/h14-16H,2-13H2,1H3/t15-,16-/m1/s1
InChIKeyWXDNRIROKRRJEQ-HZPDHXFCSA-N
MW310.44 g/mol
LogP1.51
Rot. Bonds6

About 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone

1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone (PubChem CID 129343529) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
PubChem CID129343529
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1
InChIInChI=1S/C17H30N2O3/c1-18(11-14-5-6-14)12-16-13-19(7-9-22-16)17(20)10-15-4-2-3-8-21-15/h14-16H,2-13H2,1H3/t15-,16-/m1/s1
InChIKeyWXDNRIROKRRJEQ-HZPDHXFCSA-N
XLogP1.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 128992624
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343530
1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343528
2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone
CID 129341139
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
CID 129330732
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 129336560
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone (CID 129343529) is 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone is CN(CC1CC1)C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1.
What is the InChIKey of 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone?
The InChIKey is WXDNRIROKRRJEQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-18(11-14-5-6-14)12-16-13-19(7-9-22-16)17(20)10-15-4-2-3-8-21-15/h14-16H,2-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone?
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone has a molecular weight of 310.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone is sourced from PubChem (CID 129343529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).