[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone

C20H34F2N4O — CID 70309089

IUPAC[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESN[C@H]1CCCC[C@@H]1NC1CCN(C2CCN(C(=O)C3CC3(F)F)CC2)CC1
InChIInChI=1S/C20H34F2N4O/c21-20(22)13-16(20)19(27)26-11-7-15(8-12-26)25-9-5-14(6-10-25)24-18-4-2-1-3-17(18)23/h14-18,24H,1-13,23H2/t16?,17-,18-/m0/s1
InChIKeyFWJKTZNJXSXLLN-FQECFTEESA-N
MW384.52 g/mol
LogP1.96
Rot. Bonds4

About [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone

[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone (PubChem CID 70309089) has the molecular formula C20H34F2N4O and a molecular weight of 384.52 g/mol. Its IUPAC name is [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone.

Molecular Properties

Compound Name[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
PubChem CID70309089
Molecular FormulaC20H34F2N4O
Molecular Weight384.52 g/mol
Exact Mass384.27
IUPAC Name[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
SMILESN[C@H]1CCCC[C@@H]1NC1CCN(C2CCN(C(=O)C3CC3(F)F)CC2)CC1
InChIInChI=1S/C20H34F2N4O/c21-20(22)13-16(20)19(27)26-11-7-15(8-12-26)25-9-5-14(6-10-25)24-18-4-2-1-3-17(18)23/h14-18,24H,1-13,23H2/t16?,17-,18-/m0/s1
InChIKeyFWJKTZNJXSXLLN-FQECFTEESA-N
XLogP1.96
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The IUPAC name of [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone (CID 70309089) is [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone.
What is the SMILES notation for [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The canonical SMILES for [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone is N[C@H]1CCCC[C@@H]1NC1CCN(C2CCN(C(=O)C3CC3(F)F)CC2)CC1.
What is the InChIKey of [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
The InChIKey is FWJKTZNJXSXLLN-FQECFTEESA-N. The full InChI is InChI=1S/C20H34F2N4O/c21-20(22)13-16(20)19(27)26-11-7-15(8-12-26)25-9-5-14(6-10-25)24-18-4-2-1-3-17(18)23/h14-18,24H,1-13,23H2/t16?,17-,18-/m0/s1.
What are the key properties of [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone?
[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone has a molecular weight of 384.52 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone is sourced from PubChem (CID 70309089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).