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

C17H27F2N5O — CID 138998244

IUPACN-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(CC2CCCN(C(=O)Nc3cnn(C(F)F)c3)C2)CC1
InChIInChI=1S/C17H27F2N5O/c1-13-4-7-22(8-5-13)10-14-3-2-6-23(11-14)17(25)21-15-9-20-24(12-15)16(18)19/h9,12-14,16H,2-8,10-11H2,1H3,(H,21,25)
InChIKeyAVBGNUPZMZWEER-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.25
Rot. Bonds4

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

N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 138998244) has the molecular formula C17H27F2N5O and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID138998244
Molecular FormulaC17H27F2N5O
Molecular Weight355.43 g/mol
Exact Mass355.22
IUPAC NameN-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(CC2CCCN(C(=O)Nc3cnn(C(F)F)c3)C2)CC1
InChIInChI=1S/C17H27F2N5O/c1-13-4-7-22(8-5-13)10-14-3-2-6-23(11-14)17(25)21-15-9-20-24(12-15)16(18)19/h9,12-14,16H,2-8,10-11H2,1H3,(H,21,25)
InChIKeyAVBGNUPZMZWEER-UHFFFAOYSA-N
XLogP3.25
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (CID 138998244) is N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is CC1CCN(CC2CCCN(C(=O)Nc3cnn(C(F)F)c3)C2)CC1.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is AVBGNUPZMZWEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N5O/c1-13-4-7-22(8-5-13)10-14-3-2-6-23(11-14)17(25)21-15-9-20-24(12-15)16(18)19/h9,12-14,16H,2-8,10-11H2,1H3,(H,21,25).
What are the key properties of N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138998244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).