N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide

C13H20F3N3O2 — CID 63709308

IUPACN-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C13H20F3N3O2/c1-17-10(20)9-2-6-19(7-3-9)11(21)12(13(14,15)16)4-5-18-8-12/h9,18H,2-8H2,1H3,(H,17,20)
InChIKeyVTSIQPNBJAHKEX-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.51
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 63709308) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID63709308
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1
InChIInChI=1S/C13H20F3N3O2/c1-17-10(20)9-2-6-19(7-3-9)11(21)12(13(14,15)16)4-5-18-8-12/h9,18H,2-8H2,1H3,(H,17,20)
InChIKeyVTSIQPNBJAHKEX-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2,8-diazaspiro(4.5)decan-1-one hydrochloride
CID 21935015
2-(2-Methylpropyl)-2,9-diazaspiro[4.5]decan-1-one
CID 118741541
2-Methyl-2,8-diazaspiro[4.5]decan-1-one
CID 327024
4-Methyl-1-(pyrrolidine-3-carbonyl)piperidine hydrochloride
CID 75419424
7-(4,4,4-Trifluorobutanoyl)-2,7-diazaspiro[4.5]decane
CID 56742661
2-(3,3,3-Trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922471
N-methyl-2-[(3R)-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]acetamide
CID 129610500
4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 55174367
1-(2,8-Diazaspiro[4.5]decan-2-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700641
1-(2,8-Diazaspiro[4.5]decan-8-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700826
1-(2,8-Diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 59486372
2,2,2-Trifluoro-1-(2,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 59505239

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 63709308) is N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)CC1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is VTSIQPNBJAHKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-17-10(20)9-2-6-19(7-3-9)11(21)12(13(14,15)16)4-5-18-8-12/h9,18H,2-8H2,1H3,(H,17,20).
What are the key properties of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 63709308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).