2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

C19H29N3O2 — CID 97091734

IUPAC2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N2CCN(C)CC2)C2CC2)o1
InChIInChI=1S/C19H29N3O2/c1-14-11-17(14)18-6-5-16(24-18)12-22(15-3-4-15)13-19(23)21-9-7-20(2)8-10-21/h5-6,14-15,17H,3-4,7-13H2,1-2H3/t14-,17+/m1/s1
InChIKeyMNBKCZNCLKKPDR-PBHICJAKSA-N
MW331.46 g/mol
LogP2.14
Rot. Bonds6

About 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 97091734) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID97091734
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N2CCN(C)CC2)C2CC2)o1
InChIInChI=1S/C19H29N3O2/c1-14-11-17(14)18-6-5-16(24-18)12-22(15-3-4-15)13-19(23)21-9-7-20(2)8-10-21/h5-6,14-15,17H,3-4,7-13H2,1-2H3/t14-,17+/m1/s1
InChIKeyMNBKCZNCLKKPDR-PBHICJAKSA-N
XLogP2.14
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 97091734) is 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N2CCN(C)CC2)C2CC2)o1.
What is the InChIKey of 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MNBKCZNCLKKPDR-PBHICJAKSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-11-17(14)18-6-5-16(24-18)12-22(15-3-4-15)13-19(23)21-9-7-20(2)8-10-21/h5-6,14-15,17H,3-4,7-13H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 97091734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).