[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid

C24H34FN3O2 — CID 134563625

IUPAC[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
SMILESCC(C)C1CCC(N2CCC(n3c(CNC(=O)O)cc4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C24H34FN3O2/c1-16(2)17-3-6-20(7-4-17)27-11-9-21(10-12-27)28-22(15-26-24(29)30)14-18-13-19(25)5-8-23(18)28/h5,8,13-14,16-17,20-21,26H,3-4,6-7,9-12,15H2,1-2H3,(H,29,30)
InChIKeyZVENCLPGJDGGLW-UHFFFAOYSA-N
MW415.55 g/mol
LogP5.40
Rot. Bonds5

About [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid

[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid (PubChem CID 134563625) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
PubChem CID134563625
Molecular FormulaC24H34FN3O2
Molecular Weight415.55 g/mol
Exact Mass415.26
IUPAC Name[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
SMILESCC(C)C1CCC(N2CCC(n3c(CNC(=O)O)cc4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C24H34FN3O2/c1-16(2)17-3-6-20(7-4-17)27-11-9-21(10-12-27)28-22(15-26-24(29)30)14-18-13-19(25)5-8-23(18)28/h5,8,13-14,16-17,20-21,26H,3-4,6-7,9-12,15H2,1-2H3,(H,29,30)
InChIKeyZVENCLPGJDGGLW-UHFFFAOYSA-N
XLogP5.40
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine
CID 134578491
benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
CID 139547430
[5-fluoro-3-(hydroxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563451
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 135367933
[3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563416
[5-fluoro-3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 139547536
N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 24799848
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338
3-(1-cyclopropyl-5-fluoroindol-2-yl)propan-1-amine
CID 115038926
4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
CID 24799142
5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 146842552
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid?
The IUPAC name of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid (CID 134563625) is [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid.
What is the SMILES notation for [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid?
The canonical SMILES for [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid is CC(C)C1CCC(N2CCC(n3c(CNC(=O)O)cc4cc(F)ccc43)CC2)CC1.
What is the InChIKey of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid?
The InChIKey is ZVENCLPGJDGGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-16(2)17-3-6-20(7-4-17)27-11-9-21(10-12-27)28-22(15-26-24(29)30)14-18-13-19(25)5-8-23(18)28/h5,8,13-14,16-17,20-21,26H,3-4,6-7,9-12,15H2,1-2H3,(H,29,30).
What are the key properties of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid?
[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid has a molecular weight of 415.55 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid is sourced from PubChem (CID 134563625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).