cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone

C20H30N2O — CID 71927637

IUPACcyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
SMILESCCC(NC1CCN(C(=O)C2CC2)CC1CC)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-3-15-14-22(20(23)17-10-11-17)13-12-19(15)21-18(4-2)16-8-6-5-7-9-16/h5-9,15,17-19,21H,3-4,10-14H2,1-2H3
InChIKeyVIWZZVRNMLIZDL-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.76
Rot. Bonds6

About cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone

cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone (PubChem CID 71927637) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
PubChem CID71927637
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Namecyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone
SMILESCCC(NC1CCN(C(=O)C2CC2)CC1CC)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-3-15-14-22(20(23)17-10-11-17)13-12-19(15)21-18(4-2)16-8-6-5-7-9-16/h5-9,15,17-19,21H,3-4,10-14H2,1-2H3
InChIKeyVIWZZVRNMLIZDL-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(3R,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]amino]-2-phenylacetamide
CID 97026831
[(3R,4S)-4-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98785255
cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
CID 98785215
cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
CID 71927640
[(3S,4S)-4-(2H-chromen-3-ylmethylamino)-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97026862
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364541
cyclopropyl-[(3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97026978
3-(hydroxymethyl)-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylic acid
CID 170313821
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone (CID 71927637) is cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone is CCC(NC1CCN(C(=O)C2CC2)CC1CC)c1ccccc1.
What is the InChIKey of cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone?
The InChIKey is VIWZZVRNMLIZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-3-15-14-22(20(23)17-10-11-17)13-12-19(15)21-18(4-2)16-8-6-5-7-9-16/h5-9,15,17-19,21H,3-4,10-14H2,1-2H3.
What are the key properties of cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone?
cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone has a molecular weight of 314.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-ethyl-4-(1-phenylpropylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 71927637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).