1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide

C14H25F3N4O — CID 120812289

IUPAC1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O/c1-20-6-2-11(3-7-20)13(22)19-10-12(14(15,16)17)21-8-4-18-5-9-21/h11-12,18H,2-10H2,1H3,(H,19,22)
InChIKeyVTYPJFPMPPPJRA-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.28
Rot. Bonds4

About 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide

1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 120812289) has the molecular formula C14H25F3N4O and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID120812289
Molecular FormulaC14H25F3N4O
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC Name1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O/c1-20-6-2-11(3-7-20)13(22)19-10-12(14(15,16)17)21-8-4-18-5-9-21/h11-12,18H,2-10H2,1H3,(H,19,22)
InChIKeyVTYPJFPMPPPJRA-UHFFFAOYSA-N
XLogP0.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
CID 120811457
1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 120812924
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide
CID 120810657
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-2-carboxamide
CID 120811383
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 120810635
1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120813021
5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120811957
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812812
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide (CID 120812289) is 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide is CN1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is VTYPJFPMPPPJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O/c1-20-6-2-11(3-7-20)13(22)19-10-12(14(15,16)17)21-8-4-18-5-9-21/h11-12,18H,2-10H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide?
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 120812289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).