[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

C19H29N5O2 — CID 56891462

IUPAC[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESCN(C)CCN(C)C1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1
InChIInChI=1S/C19H29N5O2/c1-21(2)11-12-22(3)16-5-4-9-24(13-16)19(25)18-7-6-17(26-18)14-23-10-8-20-15-23/h6-8,10,15-16H,4-5,9,11-14H2,1-3H3
InChIKeyYAUWNCJTMBDESS-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.62
Rot. Bonds7

About [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (PubChem CID 56891462) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
PubChem CID56891462
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESCN(C)CCN(C)C1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1
InChIInChI=1S/C19H29N5O2/c1-21(2)11-12-22(3)16-5-4-9-24(13-16)19(25)18-7-6-17(26-18)14-23-10-8-20-15-23/h6-8,10,15-16H,4-5,9,11-14H2,1-3H3
InChIKeyYAUWNCJTMBDESS-UHFFFAOYSA-N
XLogP1.62
TPSA57.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-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 [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (CID 56891462) is [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is CN(C)CCN(C)C1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1.
What is the InChIKey of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is YAUWNCJTMBDESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-21(2)11-12-22(3)16-5-4-9-24(13-16)19(25)18-7-6-17(26-18)14-23-10-8-20-15-23/h6-8,10,15-16H,4-5,9,11-14H2,1-3H3.
What are the key properties of [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 56891462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).