cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone

C16H21NO3 — CID 99786810

IUPACcyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
SMILESCOc1cccc(CN2CCO[C@H](C(=O)C3CC3)C2)c1
InChIInChI=1S/C16H21NO3/c1-19-14-4-2-3-12(9-14)10-17-7-8-20-15(11-17)16(18)13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyDLCFLHASODFHAY-HNNXBMFYSA-N
MW275.35 g/mol
LogP1.88
Rot. Bonds5

About cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone

cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone (PubChem CID 99786810) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
PubChem CID99786810
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namecyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone
SMILESCOc1cccc(CN2CCO[C@H](C(=O)C3CC3)C2)c1
InChIInChI=1S/C16H21NO3/c1-19-14-4-2-3-12(9-14)10-17-7-8-20-15(11-17)16(18)13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyDLCFLHASODFHAY-HNNXBMFYSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone with MolForge

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Related Compounds

1-[(4aS,8aS)-6-[(3-methoxyphenyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]ethanone
CID 98895955
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
(2R)-4-ethyl-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]morpholine-2-carboxamide
CID 95909052
(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
CID 95775872
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone?
The IUPAC name of cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone (CID 99786810) is cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone is COc1cccc(CN2CCO[C@H](C(=O)C3CC3)C2)c1.
What is the InChIKey of cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone?
The InChIKey is DLCFLHASODFHAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-14-4-2-3-12(9-14)10-17-7-8-20-15(11-17)16(18)13-5-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone?
cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methanone is sourced from PubChem (CID 99786810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).