N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C18H23F3N2O — CID 56813205

IUPACN-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)13-23-10-6-14(7-11-23)16(24)22-12-17(8-9-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,22,24)
InChIKeyQSGGEYMHEJZYIL-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.11
Rot. Bonds5

About N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 56813205) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID56813205
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)13-23-10-6-14(7-11-23)16(24)22-12-17(8-9-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,22,24)
InChIKeyQSGGEYMHEJZYIL-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87003007
1-(2-methylpropanoyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 33105504
1-(furan-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 32625582
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
1-[(3-chlorophenyl)methyl]-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 100500131
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]cyclopentanecarboxamide
CID 129455850
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 17430236
N-[3-[(1-phenylcyclopropyl)methylcarbamoylamino]propyl]cyclobutanecarboxamide
CID 71863002

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 56813205) is N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC1(c2ccccc2)CC1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is QSGGEYMHEJZYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)13-23-10-6-14(7-11-23)16(24)22-12-17(8-9-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,22,24).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56813205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).