N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide

C24H30N4O4 — CID 42671907

IUPACN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H30N4O4/c1-17(2)22(29)25-18-7-8-20(19(16-18)23(30)27-9-3-4-10-27)26-11-13-28(14-12-26)24(31)21-6-5-15-32-21/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,25,29)
InChIKeyMLQVNOHHRXJZLN-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.07
Rot. Bonds5

About N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide (PubChem CID 42671907) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide
PubChem CID42671907
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(C(=O)N2CCCC2)c1
InChIInChI=1S/C24H30N4O4/c1-17(2)22(29)25-18-7-8-20(19(16-18)23(30)27-9-3-4-10-27)26-11-13-28(14-12-26)24(31)21-6-5-15-32-21/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,25,29)
InChIKeyMLQVNOHHRXJZLN-UHFFFAOYSA-N
XLogP3.07
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 42678153
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42671930
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42671914
N-tert-butyl-4-[4-(furan-2-carbonylamino)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 42678931
N-[4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678536
(2S)-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 124542404
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
2,2-dichloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]acetamide
CID 1063786
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110801888

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide (CID 42671907) is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide?
The InChIKey is MLQVNOHHRXJZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17(2)22(29)25-18-7-8-20(19(16-18)23(30)27-9-3-4-10-27)26-11-13-28(14-12-26)24(31)21-6-5-15-32-21/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide?
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide has a molecular weight of 438.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 42671907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).