N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide

C17H25F3N4O — CID 56861804

IUPACN,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C17H25F3N4O/c1-3-23(4-2)15(25)13-6-5-11-24(12-13)16-21-10-8-14(22-16)7-9-17(18,19)20/h8,10,13H,3-7,9,11-12H2,1-2H3
InChIKeyIFLJQDPGLOJCQN-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.06
Rot. Bonds6

About N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide

N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 56861804) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID56861804
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC NameN,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C17H25F3N4O/c1-3-23(4-2)15(25)13-6-5-11-24(12-13)16-21-10-8-14(22-16)7-9-17(18,19)20/h8,10,13H,3-7,9,11-12H2,1-2H3
InChIKeyIFLJQDPGLOJCQN-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
US9624218, Example 16
CID 138374302
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
[4-(4-Fluorophenyl)piperazino][1-(4-methyl-2-pyrimidinyl)-3-piperidyl]methanone
CID 53102037
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
2-Allyl-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70710344
7-Isopropyl-2-[4-(trifluoromethyl)pyrimidin-2-YL]-2,7-diazaspiro[4.5]decan-6-one
CID 72871782
1-[4-(5-Methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 73440412
1-[4-[[6-(Pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95822385
1-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95840961
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide (CID 56861804) is N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is IFLJQDPGLOJCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-3-23(4-2)15(25)13-6-5-11-24(12-13)16-21-10-8-14(22-16)7-9-17(18,19)20/h8,10,13H,3-7,9,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide?
N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56861804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).