N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide

C23H27F3N4O3 — CID 55744540

IUPACN-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1)Nc1ccccc1
InChIInChI=1S/C23H27F3N4O3/c24-23(25,26)16-33-20-8-4-5-17(13-20)14-27-22(32)29-19-9-11-30(12-10-19)15-21(31)28-18-6-2-1-3-7-18/h1-8,13,19H,9-12,14-16H2,(H,28,31)(H2,27,29,32)
InChIKeyWXZPZQRFTBVSIG-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.53
Rot. Bonds8

About N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide

N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide (PubChem CID 55744540) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide
PubChem CID55744540
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC NameN-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1)Nc1ccccc1
InChIInChI=1S/C23H27F3N4O3/c24-23(25,26)16-33-20-8-4-5-17(13-20)14-27-22(32)29-19-9-11-30(12-10-19)15-21(31)28-18-6-2-1-3-7-18/h1-8,13,19H,9-12,14-16H2,(H,28,31)(H2,27,29,32)
InChIKeyWXZPZQRFTBVSIG-UHFFFAOYSA-N
XLogP3.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907704
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110985329
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
CID 55548209
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
CID 32827783
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 87015216
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 87019705

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide (CID 55744540) is N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide is O=C(CN1CCC(NC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is WXZPZQRFTBVSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3/c24-23(25,26)16-33-20-8-4-5-17(13-20)14-27-22(32)29-19-9-11-30(12-10-19)15-21(31)28-18-6-2-1-3-7-18/h1-8,13,19H,9-12,14-16H2,(H,28,31)(H2,27,29,32).
What are the key properties of N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide?
N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 464.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 55744540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).