2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

C23H31F6N3O2 — CID 123136899

IUPAC2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESNC1CCCCC1CC(=O)N1CCC(CC(=O)NC2C=C(C(F)(F)F)C=C(C(F)(F)F)C2)CC1
InChIInChI=1S/C23H31F6N3O2/c24-22(25,26)16-11-17(23(27,28)29)13-18(12-16)31-20(33)9-14-5-7-32(8-6-14)21(34)10-15-3-1-2-4-19(15)30/h11-12,14-15,18-19H,1-10,13,30H2,(H,31,33)
InChIKeyWQBQCLOGDKDDIV-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.39
Rot. Bonds5

About 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide

2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 123136899) has the molecular formula C23H31F6N3O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID123136899
Molecular FormulaC23H31F6N3O2
Molecular Weight495.51 g/mol
Exact Mass495.23
IUPAC Name2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
SMILESNC1CCCCC1CC(=O)N1CCC(CC(=O)NC2C=C(C(F)(F)F)C=C(C(F)(F)F)C2)CC1
InChIInChI=1S/C23H31F6N3O2/c24-22(25,26)16-11-17(23(27,28)29)13-18(12-16)31-20(33)9-14-5-7-32(8-6-14)21(34)10-15-3-1-2-4-19(15)30/h11-12,14-15,18-19H,1-10,13,30H2,(H,31,33)
InChIKeyWQBQCLOGDKDDIV-UHFFFAOYSA-N
XLogP4.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 69921369
2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,6-bis(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]acetamide
CID 144155554
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexane-1-carboxamide
CID 164016179
N-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-2-(4-ethylcyclohex-3-en-1-yl)acetamide
CID 178633504
2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983936

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide (CID 123136899) is 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is NC1CCCCC1CC(=O)N1CCC(CC(=O)NC2C=C(C(F)(F)F)C=C(C(F)(F)F)C2)CC1.
What is the InChIKey of 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is WQBQCLOGDKDDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F6N3O2/c24-22(25,26)16-11-17(23(27,28)29)13-18(12-16)31-20(33)9-14-5-7-32(8-6-14)21(34)10-15-3-1-2-4-19(15)30/h11-12,14-15,18-19H,1-10,13,30H2,(H,31,33).
What are the key properties of 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide?
2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 495.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 123136899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).