cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone

C19H27FN2O — CID 98785215

IUPACcyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1ccccc1F
InChIInChI=1S/C19H27FN2O/c1-3-14-12-22(19(23)15-8-9-15)11-10-18(14)21-13(2)16-6-4-5-7-17(16)20/h4-7,13-15,18,21H,3,8-12H2,1-2H3/t13-,14-,18-/m1/s1
InChIKeyDKCVQELSOUAMGS-HBUWYVDXSA-N
MW318.44 g/mol
LogP3.51
Rot. Bonds5

About cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone

cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone (PubChem CID 98785215) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
PubChem CID98785215
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Namecyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1ccccc1F
InChIInChI=1S/C19H27FN2O/c1-3-14-12-22(19(23)15-8-9-15)11-10-18(14)21-13(2)16-6-4-5-7-17(16)20/h4-7,13-15,18,21H,3,8-12H2,1-2H3/t13-,14-,18-/m1/s1
InChIKeyDKCVQELSOUAMGS-HBUWYVDXSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98785255
cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
CID 71927640
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
CID 71927637
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide
CID 97026831
3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 64923126
[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98799431
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 114506383
(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506510
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone (CID 98785215) is cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1ccccc1F.
What is the InChIKey of cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone?
The InChIKey is DKCVQELSOUAMGS-HBUWYVDXSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-3-14-12-22(19(23)15-8-9-15)11-10-18(14)21-13(2)16-6-4-5-7-17(16)20/h4-7,13-15,18,21H,3,8-12H2,1-2H3/t13-,14-,18-/m1/s1.
What are the key properties of cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone?
cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone has a molecular weight of 318.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 98785215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).