[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone

C18H25FN2O2 — CID 124692445

IUPAC[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(F)c(COCC2CC2)c1
InChIInChI=1S/C18H25FN2O2/c1-12-8-16(20)6-7-21(12)18(22)14-4-5-17(19)15(9-14)11-23-10-13-2-3-13/h4-5,9,12-13,16H,2-3,6-8,10-11,20H2,1H3/t12-,16-/m0/s1
InChIKeyVPYKUCNOCYDVLU-LRDDRELGSA-N
MW320.41 g/mol
LogP2.70
Rot. Bonds5

About [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone

[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone (PubChem CID 124692445) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone.

Molecular Properties

Compound Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone
PubChem CID124692445
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(F)c(COCC2CC2)c1
InChIInChI=1S/C18H25FN2O2/c1-12-8-16(20)6-7-21(12)18(22)14-4-5-17(19)15(9-14)11-23-10-13-2-3-13/h4-5,9,12-13,16H,2-3,6-8,10-11,20H2,1H3/t12-,16-/m0/s1
InChIKeyVPYKUCNOCYDVLU-LRDDRELGSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone with MolForge

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide
CID 124688578
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-fluoro-N-methylbenzenesulfonamide
CID 126779851
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117
[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575236
[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125420043
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119410772
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119410771
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
CID 124686970
[2-(aminomethyl)piperidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119467493
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone?
The IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone (CID 124692445) is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone.
What is the SMILES notation for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone?
The canonical SMILES for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone is C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(F)c(COCC2CC2)c1.
What is the InChIKey of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone?
The InChIKey is VPYKUCNOCYDVLU-LRDDRELGSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12-8-16(20)6-7-21(12)18(22)14-4-5-17(19)15(9-14)11-23-10-13-2-3-13/h4-5,9,12-13,16H,2-3,6-8,10-11,20H2,1H3/t12-,16-/m0/s1.
What are the key properties of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone?
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone has a molecular weight of 320.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone is sourced from PubChem (CID 124692445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).