4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one

C19H27N3O4 — CID 113185700

IUPAC4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
SMILESCCCCCN1CC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O
InChIInChI=1S/C19H27N3O4/c1-2-3-4-7-22-14-15(13-17(22)23)18(24)20-8-10-21(11-9-20)19(25)16-6-5-12-26-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3
InChIKeyMMDWATKYMBHNJX-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.60
Rot. Bonds6

About 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one

4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one (PubChem CID 113185700) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
PubChem CID113185700
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
SMILESCCCCCN1CC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O
InChIInChI=1S/C19H27N3O4/c1-2-3-4-7-22-14-15(13-17(22)23)18(24)20-8-10-21(11-9-20)19(25)16-6-5-12-26-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3
InChIKeyMMDWATKYMBHNJX-UHFFFAOYSA-N
XLogP1.60
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-(4-ethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9390081
1-(2,6-dimethylphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113186240
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46109796
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
CID 9398169
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
1-tert-butyl-4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 17119108
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
(4S)-1-(4-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7337206
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 113192002

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one (CID 113185700) is 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one is CCCCCN1CC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one?
The InChIKey is MMDWATKYMBHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-3-4-7-22-14-15(13-17(22)23)18(24)20-8-10-21(11-9-20)19(25)16-6-5-12-26-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one?
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one has a molecular weight of 361.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one is sourced from PubChem (CID 113185700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).