N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C20H27F3N2O — CID 86935043

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CC2c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H27F3N2O/c1-14-5-3-9-25(13-14)10-4-8-24-19(26)18-12-17(18)15-6-2-7-16(11-15)20(21,22)23/h2,6-7,11,14,17-18H,3-5,8-10,12-13H2,1H3,(H,24,26)
InChIKeyBTZKRJKUDXMQQD-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.05
Rot. Bonds6

About N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 86935043) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID86935043
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CC2c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H27F3N2O/c1-14-5-3-9-25(13-14)10-4-8-24-19(26)18-12-17(18)15-6-2-7-16(11-15)20(21,22)23/h2,6-7,11,14,17-18H,3-5,8-10,12-13H2,1H3,(H,24,26)
InChIKeyBTZKRJKUDXMQQD-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366
N-butyl-1-(cyclopropanecarbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680394
trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119535708
N-butyl-1-(3,3-dimethylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825952
N-[2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102558540
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide
CID 86935010
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680384
(3R,4S)-1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149155
(3S,4R)-N-(3-methylbutyl)-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149126

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 86935043) is N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC1CCCN(CCCNC(=O)C2CC2c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is BTZKRJKUDXMQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-14-5-3-9-25(13-14)10-4-8-24-19(26)18-12-17(18)15-6-2-7-16(11-15)20(21,22)23/h2,6-7,11,14,17-18H,3-5,8-10,12-13H2,1H3,(H,24,26).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86935043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).