N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide

C17H31FN4O — CID 165157018

IUPACN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
SMILESCN1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)CN1
InChIInChI=1S/C17H31FN4O/c1-22-11-14(10-20-22)17(23)21-16-6-5-13(9-19-16)7-12-3-2-4-15(18)8-12/h12-16,19-20H,2-11H2,1H3,(H,21,23)
InChIKeyISXTUPKPYPWUAC-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.41
Rot. Bonds4

About N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide

N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide (PubChem CID 165157018) has the molecular formula C17H31FN4O and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
PubChem CID165157018
Molecular FormulaC17H31FN4O
Molecular Weight326.46 g/mol
Exact Mass326.25
IUPAC NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
SMILESCN1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)CN1
InChIInChI=1S/C17H31FN4O/c1-22-11-14(10-20-22)17(23)21-16-6-5-13(9-19-16)7-12-3-2-4-15(18)8-12/h12-16,19-20H,2-11H2,1H3,(H,21,23)
InChIKeyISXTUPKPYPWUAC-UHFFFAOYSA-N
XLogP1.41
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
The IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide (CID 165157018) is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide is CN1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)CN1.
What is the InChIKey of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
The InChIKey is ISXTUPKPYPWUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN4O/c1-22-11-14(10-20-22)17(23)21-16-6-5-13(9-19-16)7-12-3-2-4-15(18)8-12/h12-16,19-20H,2-11H2,1H3,(H,21,23).
What are the key properties of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide has a molecular weight of 326.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 165157018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).