cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone

C20H27N3O — CID 97097541

IUPACcyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2[nH]ccc12
InChIInChI=1S/C20H27N3O/c1-2-14-13-23(20(24)15-6-7-15)11-9-18(14)22-12-16-4-3-5-19-17(16)8-10-21-19/h3-5,8,10,14-15,18,21-22H,2,6-7,9,11-13H2,1H3/t14-,18-/m1/s1
InChIKeyXBRNCLADJKAKRG-RDTXWAMCSA-N
MW325.46 g/mol
LogP3.29
Rot. Bonds5

About cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone

cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 97097541) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
PubChem CID97097541
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Namecyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2[nH]ccc12
InChIInChI=1S/C20H27N3O/c1-2-14-13-23(20(24)15-6-7-15)11-9-18(14)22-12-16-4-3-5-19-17(16)8-10-21-19/h3-5,8,10,14-15,18,21-22H,2,6-7,9,11-13H2,1H3/t14-,18-/m1/s1
InChIKeyXBRNCLADJKAKRG-RDTXWAMCSA-N
XLogP3.29
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]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 cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone (CID 97097541) is cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2[nH]ccc12.
What is the InChIKey of cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is XBRNCLADJKAKRG-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-14-13-23(20(24)15-6-7-15)11-9-18(14)22-12-16-4-3-5-19-17(16)8-10-21-19/h3-5,8,10,14-15,18,21-22H,2,6-7,9,11-13H2,1H3/t14-,18-/m1/s1.
What are the key properties of cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone?
cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 325.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 97097541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).