(1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C18H23F3N2O — CID 56867858

IUPAC(1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCCC(CCc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)15-5-1-3-13(11-15)6-7-14-4-2-10-23(12-14)16(24)17(22)8-9-17/h1,3,5,11,14H,2,4,6-10,12,22H2
InChIKeyKKHINCAFZICUNW-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.37
Rot. Bonds4

About (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

(1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56867858) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56867858
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name(1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCCC(CCc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)15-5-1-3-13(11-15)6-7-14-4-2-10-23(12-14)16(24)17(22)8-9-17/h1,3,5,11,14H,2,4,6-10,12,22H2
InChIKeyKKHINCAFZICUNW-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
3-Amino-1-((3-(trifluoromethyl)phenyl)methyl)piperidin-2-one
CID 64236451
4-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-butan-1-one
CID 10779812
(6S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299357
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 70696189
(4-tert-butylpiperazin-1-yl)-[(1S)-2-phenylcyclopropyl]methanone
CID 57618993
[(1S)-2-(4-fluorophenyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 57618995
1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67378515
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethanone
CID 90654159
US10233152, Example 36
CID 129279870
(6S)-6-(4-aminobutyl)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-2,3-dione
CID 16745907
(6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-butylpiperazine-2,3-dione
CID 16745903

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56867858) is (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is NC1(C(=O)N2CCCC(CCc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is KKHINCAFZICUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)15-5-1-3-13(11-15)6-7-14-4-2-10-23(12-14)16(24)17(22)8-9-17/h1,3,5,11,14H,2,4,6-10,12,22H2.
What are the key properties of (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56867858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).