N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide

C15H19F3N2O — CID 174748455

IUPACN-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-10(21)19(2)12-3-5-20(6-4-12)9-11-7-13(16)15(18)14(17)8-11/h7-8,12H,3-6,9H2,1-2H3
InChIKeyHZWZXBIWNPKPIX-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide

N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 174748455) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID174748455
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(Cc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-10(21)19(2)12-3-5-20(6-4-12)9-11-7-13(16)15(18)14(17)8-11/h7-8,12H,3-6,9H2,1-2H3
InChIKeyHZWZXBIWNPKPIX-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
CID 103887255
CID 140622443
CID 140622443
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
N-(1-benzylazetidin-3-yl)-N-methylacetamide
CID 141369183
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603468
ethane;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
CID 155739583
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
(4S)-1-[(3,5-difluoro-4-methoxyphenyl)methyl]-N,N-dimethylazepan-4-amine
CID 99946945

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide (CID 174748455) is N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide is CC(=O)N(C)C1CCN(Cc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is HZWZXBIWNPKPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(21)19(2)12-3-5-20(6-4-12)9-11-7-13(16)15(18)14(17)8-11/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide?
N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 174748455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).