N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide

C17H30F2N4O2 — CID 165157005

IUPACN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide
SMILESCN1NC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)CC1O
InChIInChI=1S/C17H30F2N4O2/c1-23-16(24)8-14(22-23)17(25)21-15-3-2-10(9-20-15)4-11-5-12(18)7-13(19)6-11/h10-16,20,22,24H,2-9H2,1H3,(H,21,25)
InChIKeyUHNTUNGBCGGQON-UHFFFAOYSA-N
MW360.45 g/mol
LogP0.82
Rot. Bonds4

About N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide

N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide (PubChem CID 165157005) has the molecular formula C17H30F2N4O2 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide
PubChem CID165157005
Molecular FormulaC17H30F2N4O2
Molecular Weight360.45 g/mol
Exact Mass360.23
IUPAC NameN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide
SMILESCN1NC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)CC1O
InChIInChI=1S/C17H30F2N4O2/c1-23-16(24)8-14(22-23)17(25)21-15-3-2-10(9-20-15)4-11-5-12(18)7-13(19)6-11/h10-16,20,22,24H,2-9H2,1H3,(H,21,25)
InChIKeyUHNTUNGBCGGQON-UHFFFAOYSA-N
XLogP0.82
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide (CID 165157005) is N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide is CN1NC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)CC1O.
What is the InChIKey of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide?
The InChIKey is UHNTUNGBCGGQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N4O2/c1-23-16(24)8-14(22-23)17(25)21-15-3-2-10(9-20-15)4-11-5-12(18)7-13(19)6-11/h10-16,20,22,24H,2-9H2,1H3,(H,21,25).
What are the key properties of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide?
N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 165157005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).