N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid

C17H22ClF3N2O3 — CID 68862382

IUPACN-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(Cc1ccc(Cl)cc1)CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21ClN2O.C2HF3O2/c1-12(19)18(11-14-6-8-17-9-7-14)10-13-2-4-15(16)5-3-13;3-2(4,5)1(6)7/h2-5,14,17H,6-11H2,1H3;(H,6,7)
InChIKeyMCTUHYUOSGOSOZ-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.32
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid

N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 68862382) has the molecular formula C17H22ClF3N2O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID68862382
Molecular FormulaC17H22ClF3N2O3
Molecular Weight394.82 g/mol
Exact Mass394.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(Cc1ccc(Cl)cc1)CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21ClN2O.C2HF3O2/c1-12(19)18(11-14-6-8-17-9-7-14)10-13-2-4-15(16)5-3-13;3-2(4,5)1(6)7/h2-5,14,17H,6-11H2,1H3;(H,6,7)
InChIKeyMCTUHYUOSGOSOZ-UHFFFAOYSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid (CID 68862382) is N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid is CC(=O)N(Cc1ccc(Cl)cc1)CC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is MCTUHYUOSGOSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.C2HF3O2/c1-12(19)18(11-14-6-8-17-9-7-14)10-13-2-4-15(16)5-3-13;3-2(4,5)1(6)7/h2-5,14,17H,6-11H2,1H3;(H,6,7).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 394.82 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68862382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).