N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide

C14H19N3O4 — CID 63608264

IUPACN-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESCC1(C)C(=O)NCCN1C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C14H19N3O4/c1-14(2)13(20)16-6-7-17(14)11(18)3-5-15-12(19)10-4-8-21-9-10/h4,8-9H,3,5-7H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyLXIOBUHLKFMHAP-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.14
Rot. Bonds4

About N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide

N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide (PubChem CID 63608264) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide
PubChem CID63608264
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESCC1(C)C(=O)NCCN1C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C14H19N3O4/c1-14(2)13(20)16-6-7-17(14)11(18)3-5-15-12(19)10-4-8-21-9-10/h4,8-9H,3,5-7H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyLXIOBUHLKFMHAP-UHFFFAOYSA-N
XLogP0.14
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]furan-3-carboxamide
CID 62046066
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 63606570
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
CID 63605872
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one
CID 63362415
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
CID 119775007
4-[(4S)-4-amino-4-phenylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 124555736
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide (CID 63608264) is N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide is CC1(C)C(=O)NCCN1C(=O)CCNC(=O)c1ccoc1.
What is the InChIKey of N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is LXIOBUHLKFMHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2)13(20)16-6-7-17(14)11(18)3-5-15-12(19)10-4-8-21-9-10/h4,8-9H,3,5-7H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide?
N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 63608264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).