cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone

C19H26F2N2O — CID 71927640

IUPACcyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
SMILESCCC1CN(C(=O)C2CC2)CCC1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H26F2N2O/c1-3-13-11-23(19(24)14-4-5-14)9-8-18(13)22-12(2)15-6-7-16(20)17(21)10-15/h6-7,10,12-14,18,22H,3-5,8-9,11H2,1-2H3
InChIKeyYPSBWQZYAKETEB-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.65
Rot. Bonds5

About cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone

cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone (PubChem CID 71927640) has the molecular formula C19H26F2N2O and a molecular weight of 336.43 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
PubChem CID71927640
Molecular FormulaC19H26F2N2O
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namecyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
SMILESCCC1CN(C(=O)C2CC2)CCC1NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H26F2N2O/c1-3-13-11-23(19(24)14-4-5-14)9-8-18(13)22-12(2)15-6-7-16(20)17(21)10-15/h6-7,10,12-14,18,22H,3-5,8-9,11H2,1-2H3
InChIKeyYPSBWQZYAKETEB-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
CID 98785215
[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98785255
cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
CID 71927637
cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
CID 96513320
1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 97097185
(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide
CID 97026831
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
(3R,4S)-3-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 98785267
[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98799431
(3R,4R)-3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 124859555

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone (CID 71927640) is cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone is CCC1CN(C(=O)C2CC2)CCC1NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone?
The InChIKey is YPSBWQZYAKETEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O/c1-3-13-11-23(19(24)14-4-5-14)9-8-18(13)22-12(2)15-6-7-16(20)17(21)10-15/h6-7,10,12-14,18,22H,3-5,8-9,11H2,1-2H3.
What are the key properties of cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone?
cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone has a molecular weight of 336.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 71927640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).