N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide

C18H31FN4O2 — CID 155699974

IUPACN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1C
InChIInChI=1S/C18H31FN4O2/c1-22-15(10-17(24)23(22)2)18(25)21-16-7-6-13(11-20-16)8-12-4-3-5-14(19)9-12/h12-16,20H,3-11H2,1-2H3,(H,21,25)
InChIKeyRCEHBURCGWBAIZ-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.42
Rot. Bonds4

About N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide

N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide (PubChem CID 155699974) has the molecular formula C18H31FN4O2 and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide
PubChem CID155699974
Molecular FormulaC18H31FN4O2
Molecular Weight354.47 g/mol
Exact Mass354.24
IUPAC NameN-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1C
InChIInChI=1S/C18H31FN4O2/c1-22-15(10-17(24)23(22)2)18(25)21-16-7-6-13(11-20-16)8-12-4-3-5-14(19)9-12/h12-16,20H,3-11H2,1-2H3,(H,21,25)
InChIKeyRCEHBURCGWBAIZ-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
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]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide?
The IUPAC name of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide (CID 155699974) is N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide is CN1C(=O)CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)N1C.
What is the InChIKey of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide?
The InChIKey is RCEHBURCGWBAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN4O2/c1-22-15(10-17(24)23(22)2)18(25)21-16-7-6-13(11-20-16)8-12-4-3-5-14(19)9-12/h12-16,20H,3-11H2,1-2H3,(H,21,25).
What are the key properties of N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide?
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 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]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide is sourced from PubChem (CID 155699974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).