N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide

C17H22F3N3O2 — CID 24754171

IUPACN-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C17H22F3N3O2/c1-10(24)22-13-2-4-23(5-3-13)17(25)8-12(21)6-11-7-15(19)16(20)9-14(11)18/h7,9,12-13H,2-6,8,21H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyJCJIQFYGCBRBLK-GFCCVEGCSA-N
MW357.38 g/mol
LogP1.49
Rot. Bonds5

About N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide

N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide (PubChem CID 24754171) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide
PubChem CID24754171
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C17H22F3N3O2/c1-10(24)22-13-2-4-23(5-3-13)17(25)8-12(21)6-11-7-15(19)16(20)9-14(11)18/h7,9,12-13H,2-6,8,21H2,1H3,(H,22,24)/t12-/m1/s1
InChIKeyJCJIQFYGCBRBLK-GFCCVEGCSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]propane-2-sulfonamide
CID 91289973
N-[1-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-3-yl]ethanesulfonamide
CID 91544696
(3R)-3-amino-1-(4-ethyl-1,4-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 44571851
(3R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695073
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812
5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]benzene-1,3-dicarboxylic acid;hydrochloride
CID 11854302
(3R)-3-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-4-(2,4,5-trifluorophenyl)butanamide
CID 154868302
3-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]benzoic acid
CID 11854299
(3R)-3-amino-1-(4-benzylpiperazin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 25154806
3-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-N-ethyl-3-oxopropanamide
CID 70311276
3-amino-1-[4-[4-[(2-chloro-4-methylphenyl)methyl]phenoxy]piperidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 166969035
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide (CID 24754171) is N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1.
What is the InChIKey of N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide?
The InChIKey is JCJIQFYGCBRBLK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-10(24)22-13-2-4-23(5-3-13)17(25)8-12(21)6-11-7-15(19)16(20)9-14(11)18/h7,9,12-13H,2-6,8,21H2,1H3,(H,22,24)/t12-/m1/s1.
What are the key properties of N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide?
N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide has a molecular weight of 357.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 24754171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).