N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide

C18H24F3N3O2 — CID 91920886

IUPACN-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1N(C)C
InChIInChI=1S/C18H24F3N3O2/c1-12(25)22-10-14-8-9-24(11-16(14)23(2)3)17(26)13-4-6-15(7-5-13)18(19,20)21/h4-7,14,16H,8-11H2,1-3H3,(H,22,25)/t14-,16-/m1/s1
InChIKeyIJNZELWXUYLZNR-GDBMZVCRSA-N
MW371.40 g/mol
LogP2.23
Rot. Bonds4

About N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide

N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 91920886) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide
PubChem CID91920886
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1N(C)C
InChIInChI=1S/C18H24F3N3O2/c1-12(25)22-10-14-8-9-24(11-16(14)23(2)3)17(26)13-4-6-15(7-5-13)18(19,20)21/h4-7,14,16H,8-11H2,1-3H3,(H,22,25)/t14-,16-/m1/s1
InChIKeyIJNZELWXUYLZNR-GDBMZVCRSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N-(N-benzylpiperidin-4-yl)-4-iodobenzamide
CID 132995
N-[3-(benzoylamino)propyl]benzamide
CID 255782

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide (CID 91920886) is N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1N(C)C.
What is the InChIKey of N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is IJNZELWXUYLZNR-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-12(25)22-10-14-8-9-24(11-16(14)23(2)3)17(26)13-4-6-15(7-5-13)18(19,20)21/h4-7,14,16H,8-11H2,1-3H3,(H,22,25)/t14-,16-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-(dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91920886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).