N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide

C22H30F2N4O2 — CID 71811992

IUPACN-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide
SMILESCOCc1nn(C2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)c2ccc(C)cc12
InChIInChI=1S/C22H30F2N4O2/c1-15-3-4-20-18(13-15)19(14-30-2)26-28(20)17-7-11-27(12-8-17)21(29)25-16-5-9-22(23,24)10-6-16/h3-4,13,16-17H,5-12,14H2,1-2H3,(H,25,29)
InChIKeyRZSRJAHTKDJLNL-UHFFFAOYSA-N
MW420.50 g/mol
LogP4.42
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide

N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide (PubChem CID 71811992) has the molecular formula C22H30F2N4O2 and a molecular weight of 420.50 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide
PubChem CID71811992
Molecular FormulaC22H30F2N4O2
Molecular Weight420.50 g/mol
Exact Mass420.23
IUPAC NameN-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide
SMILESCOCc1nn(C2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)c2ccc(C)cc12
InChIInChI=1S/C22H30F2N4O2/c1-15-3-4-20-18(13-15)19(14-30-2)26-28(20)17-7-11-27(12-8-17)21(29)25-16-5-9-22(23,24)10-6-16/h3-4,13,16-17H,5-12,14H2,1-2H3,(H,25,29)
InChIKeyRZSRJAHTKDJLNL-UHFFFAOYSA-N
XLogP4.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide (CID 71811992) is N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide is COCc1nn(C2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)c2ccc(C)cc12.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide?
The InChIKey is RZSRJAHTKDJLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N4O2/c1-15-3-4-20-18(13-15)19(14-30-2)26-28(20)17-7-11-27(12-8-17)21(29)25-16-5-9-22(23,24)10-6-16/h3-4,13,16-17H,5-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide?
N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-[3-(methoxymethyl)-5-methylindazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71811992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).