3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide

C18H28F3N5O — CID 139012694

IUPAC3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCC1CCN(CC2CCCN(C(=O)Nc3cnn(C)c3C(F)(F)F)C2)CC1
InChIInChI=1S/C18H28F3N5O/c1-13-5-8-25(9-6-13)11-14-4-3-7-26(12-14)17(27)23-15-10-22-24(2)16(15)18(19,20)21/h10,13-14H,3-9,11-12H2,1-2H3,(H,23,27)
InChIKeyNDCZRDJRLTUUKR-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.41
Rot. Bonds3

About 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide

3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 139012694) has the molecular formula C18H28F3N5O and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID139012694
Molecular FormulaC18H28F3N5O
Molecular Weight387.45 g/mol
Exact Mass387.22
IUPAC Name3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCC1CCN(CC2CCCN(C(=O)Nc3cnn(C)c3C(F)(F)F)C2)CC1
InChIInChI=1S/C18H28F3N5O/c1-13-5-8-25(9-6-13)11-14-4-3-7-26(12-14)17(27)23-15-10-22-24(2)16(15)18(19,20)21/h10,13-14H,3-9,11-12H2,1-2H3,(H,23,27)
InChIKeyNDCZRDJRLTUUKR-UHFFFAOYSA-N
XLogP3.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 139012694) is 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide is CC1CCN(CC2CCCN(C(=O)Nc3cnn(C)c3C(F)(F)F)C2)CC1.
What is the InChIKey of 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is NDCZRDJRLTUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N5O/c1-13-5-8-25(9-6-13)11-14-4-3-7-26(12-14)17(27)23-15-10-22-24(2)16(15)18(19,20)21/h10,13-14H,3-9,11-12H2,1-2H3,(H,23,27).
What are the key properties of 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide?
3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 139012694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).