N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C25H26ClF3N2O2 — CID 19381061

IUPACN-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C25H26ClF3N2O2/c26-16-5-6-19-20-12-24(22(19)11-16,21-4-2-1-3-18(20)21)14-31-9-7-17(8-10-31)30-23(32)13-33-15-25(27,28)29/h1-6,11,17,20H,7-10,12-15H2,(H,30,32)
InChIKeyMBLUDKFGXBLORM-UHFFFAOYSA-N
MW478.94 g/mol
LogP4.63
Rot. Bonds6

About N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 19381061) has the molecular formula C25H26ClF3N2O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID19381061
Molecular FormulaC25H26ClF3N2O2
Molecular Weight478.94 g/mol
Exact Mass478.16
IUPAC NameN-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C25H26ClF3N2O2/c26-16-5-6-19-20-12-24(22(19)11-16,21-4-2-1-3-18(20)21)14-31-9-7-17(8-10-31)30-23(32)13-33-15-25(27,28)29/h1-6,11,17,20H,7-10,12-15H2,(H,30,32)
InChIKeyMBLUDKFGXBLORM-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide with MolForge

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Related Compounds

N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2,2-diethoxyacetamide
CID 19380972
N-(1-[2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl]-4-piperidyl)-2-ethoxyacetamide
CID 19381000
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 19381009
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-ethoxypropanamide
CID 19381012
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-methoxypropanamide
CID 19381046
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-methoxyacetamide
CID 19381057
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide
CID 19380966
N-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 19381047
2-[1-[(4-Chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2-fluoroethoxy)acetamide
CID 142638706
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-methoxy-2-methylpropanamide
CID 19380983
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(oxan-4-yloxy)acetamide
CID 19381100
N-(1-[(9S,10S)-(+)-2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl]-4-piperidyl)-2-ethoxyacetamide
CID 9932172

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 19381061) is N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1.
What is the InChIKey of N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MBLUDKFGXBLORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N2O2/c26-16-5-6-19-20-12-24(22(19)11-16,21-4-2-1-3-18(20)21)14-31-9-7-17(8-10-31)30-23(32)13-33-15-25(27,28)29/h1-6,11,17,20H,7-10,12-15H2,(H,30,32).
What are the key properties of N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 478.94 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 19381061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).