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

C23H29F6N3O2 — CID 51038641

IUPAC2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNC1(CC(=O)N2CCC(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CCCCC1
InChIInChI=1S/C23H29F6N3O2/c24-22(25,26)16-11-17(23(27,28)29)13-18(12-16)31-19(33)10-15-4-8-32(9-5-15)20(34)14-21(30)6-2-1-3-7-21/h11-13,15H,1-10,14,30H2,(H,31,33)
InChIKeyUKDWUIMFKFLIMQ-UHFFFAOYSA-N
MW493.49 g/mol
LogP5.34
Rot. Bonds5

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

2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 51038641) has the molecular formula C23H29F6N3O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID51038641
Molecular FormulaC23H29F6N3O2
Molecular Weight493.49 g/mol
Exact Mass493.22
IUPAC Name2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNC1(CC(=O)N2CCC(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CCCCC1
InChIInChI=1S/C23H29F6N3O2/c24-22(25,26)16-11-17(23(27,28)29)13-18(12-16)31-19(33)10-15-4-8-32(9-5-15)20(34)14-21(30)6-2-1-3-7-21/h11-13,15H,1-10,14,30H2,(H,31,33)
InChIKeyUKDWUIMFKFLIMQ-UHFFFAOYSA-N
XLogP5.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 51038641) is 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is NC1(CC(=O)N2CCC(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CCCCC1.
What is the InChIKey of 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is UKDWUIMFKFLIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F6N3O2/c24-22(25,26)16-11-17(23(27,28)29)13-18(12-16)31-19(33)10-15-4-8-32(9-5-15)20(34)14-21(30)6-2-1-3-7-21/h11-13,15H,1-10,14,30H2,(H,31,33).
What are the key properties of 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 493.49 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51038641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).