N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C18H25ClF3N3O2 — CID 119707018

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-11(13-5-7-22-8-6-13)9-17(26)24-16-10-14(18(19,20)21)3-4-15(16)23-12(2)25;/h3-4,10-11,13,22H,5-9H2,1-2H3,(H,23,25)(H,24,26);1H
InChIKeyZDYNDKQOKBXQHK-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.05
Rot. Bonds5

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119707018) has the molecular formula C18H25ClF3N3O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119707018
Molecular FormulaC18H25ClF3N3O2
Molecular Weight407.86 g/mol
Exact Mass407.16
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-11(13-5-7-22-8-6-13)9-17(26)24-16-10-14(18(19,20)21)3-4-15(16)23-12(2)25;/h3-4,10-11,13,22H,5-9H2,1-2H3,(H,23,25)(H,24,26);1H
InChIKeyZDYNDKQOKBXQHK-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119707018) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is ZDYNDKQOKBXQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2.ClH/c1-11(13-5-7-22-8-6-13)9-17(26)24-16-10-14(18(19,20)21)3-4-15(16)23-12(2)25;/h3-4,10-11,13,22H,5-9H2,1-2H3,(H,23,25)(H,24,26);1H.
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119707018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).