N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide

C18H24F3N3O — CID 91921382

IUPACN-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(Cc3cc(F)c(F)cc3F)C2)CC1
InChIInChI=1S/C18H24F3N3O/c1-22-18(25)24-6-3-12(4-7-24)13-2-5-23(10-13)11-14-8-16(20)17(21)9-15(14)19/h8-9,12-13H,2-7,10-11H2,1H3,(H,22,25)
InChIKeyQGUJEZCCWPNGSL-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.98
Rot. Bonds3

About N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921382) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921382
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(Cc3cc(F)c(F)cc3F)C2)CC1
InChIInChI=1S/C18H24F3N3O/c1-22-18(25)24-6-3-12(4-7-24)13-2-5-23(10-13)11-14-8-16(20)17(21)9-15(14)19/h8-9,12-13H,2-7,10-11H2,1H3,(H,22,25)
InChIKeyQGUJEZCCWPNGSL-UHFFFAOYSA-N
XLogP2.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 114058142
(4aR,8aR)-6-[(2,4,5-trifluorophenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97159790
N-methyl-4-[1-(2-methylsulfanylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921357
4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910191
4-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921344
4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910199
4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509
N-methyl-4-[1-(thian-4-yl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921395
3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-prop-2-enylpyrrolidine-1-carboxamide
CID 45202534
N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 42214232
(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-prop-2-enylpyrrolidine-1-carboxamide
CID 25376872
4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910219

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921382) is N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(Cc3cc(F)c(F)cc3F)C2)CC1.
What is the InChIKey of N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is QGUJEZCCWPNGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-22-18(25)24-6-3-12(4-7-24)13-2-5-23(10-13)11-14-8-16(20)17(21)9-15(14)19/h8-9,12-13H,2-7,10-11H2,1H3,(H,22,25).
What are the key properties of N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).