N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

C14H20F6N4O5 — CID 158648372

IUPACN-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NC1=NCCCN1)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4O.2C2HF3O2/c15-9(8-2-6-11-7-3-8)14-10-12-4-1-5-13-10;2*3-2(4,5)1(6)7/h8,11H,1-7H2,(H2,12,13,14,15);2*(H,6,7)
InChIKeyIBGCYNYIPFTLML-UHFFFAOYSA-N
MW438.33 g/mol
LogP0.72
Rot. Bonds1

About N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158648372) has the molecular formula C14H20F6N4O5 and a molecular weight of 438.33 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID158648372
Molecular FormulaC14H20F6N4O5
Molecular Weight438.33 g/mol
Exact Mass438.13
IUPAC NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NC1=NCCCN1)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4O.2C2HF3O2/c15-9(8-2-6-11-7-3-8)14-10-12-4-1-5-13-10;2*3-2(4,5)1(6)7/h8,11H,1-7H2,(H2,12,13,14,15);2*(H,6,7)
InChIKeyIBGCYNYIPFTLML-UHFFFAOYSA-N
XLogP0.72
TPSA140.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 50.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 158648372) is N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NC1=NCCCN1)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IBGCYNYIPFTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.2C2HF3O2/c15-9(8-2-6-11-7-3-8)14-10-12-4-1-5-13-10;2*3-2(4,5)1(6)7/h8,11H,1-7H2,(H2,12,13,14,15);2*(H,6,7).
What are the key properties of N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 438.33 g/mol, XLogP of 0.72, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158648372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).