[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone

C18H27N3O2 — CID 129342482

IUPAC[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)c2cccn2C2CC2)CCO1
InChIInChI=1S/C18H27N3O2/c1-19(11-14-4-5-14)12-16-13-20(9-10-23-16)18(22)17-3-2-8-21(17)15-6-7-15/h2-3,8,14-16H,4-7,9-13H2,1H3/t16-/m1/s1
InChIKeyUCHGFVSJPWGZQO-MRXNPFEDSA-N
MW317.43 g/mol
LogP2.01
Rot. Bonds6

About [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone

[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone (PubChem CID 129342482) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
PubChem CID129342482
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)c2cccn2C2CC2)CCO1
InChIInChI=1S/C18H27N3O2/c1-19(11-14-4-5-14)12-16-13-20(9-10-23-16)18(22)17-3-2-8-21(17)15-6-7-15/h2-3,8,14-16H,4-7,9-13H2,1H3/t16-/m1/s1
InChIKeyUCHGFVSJPWGZQO-MRXNPFEDSA-N
XLogP2.01
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342481
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 129336719
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 128970938
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
3-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]benzonitrile
CID 129343097
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 129336560
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 129334520
6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
CID 128973859
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
CID 129330732
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 128992624

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
The IUPAC name of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone (CID 129342482) is [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
The canonical SMILES for [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone is CN(CC1CC1)C[C@@H]1CN(C(=O)c2cccn2C2CC2)CCO1.
What is the InChIKey of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
The InChIKey is UCHGFVSJPWGZQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19(11-14-4-5-14)12-16-13-20(9-10-23-16)18(22)17-3-2-8-21(17)15-6-7-15/h2-3,8,14-16H,4-7,9-13H2,1H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone is sourced from PubChem (CID 129342482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).