[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C18H25FN2O2 — CID 124575236

IUPAC[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1
InChIInChI=1S/C18H25FN2O2/c1-20-16-3-2-8-21(10-16)18(22)14-6-7-17(19)15(9-14)12-23-11-13-4-5-13/h6-7,9,13,16,20H,2-5,8,10-12H2,1H3/t16-/m1/s1
InChIKeyJQAUZFIXFDBQPH-MRXNPFEDSA-N
MW320.41 g/mol
LogP2.58
Rot. Bonds6

About [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone

[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124575236) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124575236
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1
InChIInChI=1S/C18H25FN2O2/c1-20-16-3-2-8-21(10-16)18(22)14-6-7-17(19)15(9-14)12-23-11-13-4-5-13/h6-7,9,13,16,20H,2-5,8,10-12H2,1H3/t16-/m1/s1
InChIKeyJQAUZFIXFDBQPH-MRXNPFEDSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125420043
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone
CID 124692445
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119410772
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119410771
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124686378
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 124575236) is [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CN[C@@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is JQAUZFIXFDBQPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-20-16-3-2-8-21(10-16)18(22)14-6-7-17(19)15(9-14)12-23-11-13-4-5-13/h6-7,9,13,16,20H,2-5,8,10-12H2,1H3/t16-/m1/s1.
What are the key properties of [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124575236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).