N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide

C20H28F3N5O2 — CID 110086636

IUPACN,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(C(=O)N(C)C)C1
InChIInChI=1S/C20H28F3N5O2/c1-25(2)19(30)16-13-26(3)10-11-28(16)18(29)14-6-8-27(9-7-14)17-5-4-15(12-24-17)20(21,22)23/h4-5,12,14,16H,6-11,13H2,1-3H3
InChIKeyWQGPNFLPOPKIIG-UHFFFAOYSA-N
MW427.47 g/mol
LogP1.55
Rot. Bonds3

About N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide

N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide (PubChem CID 110086636) has the molecular formula C20H28F3N5O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide
PubChem CID110086636
Molecular FormulaC20H28F3N5O2
Molecular Weight427.47 g/mol
Exact Mass427.22
IUPAC NameN,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(C(=O)N(C)C)C1
InChIInChI=1S/C20H28F3N5O2/c1-25(2)19(30)16-13-26(3)10-11-28(16)18(29)14-6-8-27(9-7-14)17-5-4-15(12-24-17)20(21,22)23/h4-5,12,14,16H,6-11,13H2,1-3H3
InChIKeyWQGPNFLPOPKIIG-UHFFFAOYSA-N
XLogP1.55
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide with MolForge

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
N,N-dimethyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxamide
CID 55701768
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
cyclopropyl-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]methanone
CID 154831085
N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
CID 171702378
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782
4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1,2-dicarboxylic acid
CID 90744981
phenyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2822230
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide?
The IUPAC name of N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide (CID 110086636) is N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide?
The canonical SMILES for N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide is CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(C(=O)N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide?
The InChIKey is WQGPNFLPOPKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N5O2/c1-25(2)19(30)16-13-26(3)10-11-28(16)18(29)14-6-8-27(9-7-14)17-5-4-15(12-24-17)20(21,22)23/h4-5,12,14,16H,6-11,13H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide?
N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazine-2-carboxamide is sourced from PubChem (CID 110086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).