2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide

C18H27N3O4 — CID 51090831

IUPAC2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESCc1occc1C(=O)N1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H27N3O4/c1-13-14(6-12-25-13)16(23)21-10-8-20(9-11-21)15(22)5-7-19-17(24)18(2,3)4/h6,12H,5,7-11H2,1-4H3,(H,19,24)
InChIKeyKCZYBZOZSNDSCF-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.42
Rot. Bonds4

About 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide

2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide (PubChem CID 51090831) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide
PubChem CID51090831
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESCc1occc1C(=O)N1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H27N3O4/c1-13-14(6-12-25-13)16(23)21-10-8-20(9-11-21)15(22)5-7-19-17(24)18(2,3)4/h6,12H,5,7-11H2,1-4H3,(H,19,24)
InChIKeyKCZYBZOZSNDSCF-UHFFFAOYSA-N
XLogP1.42
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide (CID 51090831) is 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide is Cc1occc1C(=O)N1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is KCZYBZOZSNDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-14(6-12-25-13)16(23)21-10-8-20(9-11-21)15(22)5-7-19-17(24)18(2,3)4/h6,12H,5,7-11H2,1-4H3,(H,19,24).
What are the key properties of 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide?
2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 51090831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).