N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide

C17H26BrN3O2 — CID 91920936

IUPACN-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCN(C)[C@@H]1CN(Cc2ccc(Br)o2)CC[C@@H]1CNC(=O)C1CC1
InChIInChI=1S/C17H26BrN3O2/c1-20(2)15-11-21(10-14-5-6-16(18)23-14)8-7-13(15)9-19-17(22)12-3-4-12/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyAFRRTAVHYPCFEE-UKRRQHHQSA-N
MW384.32 g/mol
LogP2.32
Rot. Bonds6

About N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 91920936) has the molecular formula C17H26BrN3O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID91920936
Molecular FormulaC17H26BrN3O2
Molecular Weight384.32 g/mol
Exact Mass383.12
IUPAC NameN-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCN(C)[C@@H]1CN(Cc2ccc(Br)o2)CC[C@@H]1CNC(=O)C1CC1
InChIInChI=1S/C17H26BrN3O2/c1-20(2)15-11-21(10-14-5-6-16(18)23-14)8-7-13(15)9-19-17(22)12-3-4-12/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyAFRRTAVHYPCFEE-UKRRQHHQSA-N
XLogP2.32
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide 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 N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 91920936) is N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide is CN(C)[C@@H]1CN(Cc2ccc(Br)o2)CC[C@@H]1CNC(=O)C1CC1.
What is the InChIKey of N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is AFRRTAVHYPCFEE-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H26BrN3O2/c1-20(2)15-11-21(10-14-5-6-16(18)23-14)8-7-13(15)9-19-17(22)12-3-4-12/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,19,22)/t13-,15-/m1/s1.
What are the key properties of N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 384.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-1-[(5-bromofuran-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 91920936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).