formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide

C24H31N3O5 — CID 154912824

IUPACformic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCN(CC2CC(=O)N(c3ccccc3)C2)CC1.O=CO
InChIInChI=1S/C23H29N3O3.CH2O2/c1-17-9-12-29-22(17)23(28)24-14-18-7-10-25(11-8-18)15-19-13-21(27)26(16-19)20-5-3-2-4-6-20;2-1-3/h2-6,9,12,18-19H,7-8,10-11,13-16H2,1H3,(H,24,28);1H,(H,2,3)
InChIKeyLUQCULSDOSHDDZ-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.78
Rot. Bonds6

About formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide

formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 154912824) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Nameformic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID154912824
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Nameformic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCN(CC2CC(=O)N(c3ccccc3)C2)CC1.O=CO
InChIInChI=1S/C23H29N3O3.CH2O2/c1-17-9-12-29-22(17)23(28)24-14-18-7-10-25(11-8-18)15-19-13-21(27)26(16-19)20-5-3-2-4-6-20;2-1-3/h2-6,9,12,18-19H,7-8,10-11,13-16H2,1H3,(H,24,28);1H,(H,2,3)
InChIKeyLUQCULSDOSHDDZ-UHFFFAOYSA-N
XLogP2.78
TPSA103.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 154912028
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 30853413
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
(4S)-4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125165477
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 118786117
(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125156440

Frequently Asked Questions

What is the IUPAC name of formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide (CID 154912824) is formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCC1CCN(CC2CC(=O)N(c3ccccc3)C2)CC1.O=CO.
What is the InChIKey of formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is LUQCULSDOSHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.CH2O2/c1-17-9-12-29-22(17)23(28)24-14-18-7-10-25(11-8-18)15-19-13-21(27)26(16-19)20-5-3-2-4-6-20;2-1-3/h2-6,9,12,18-19H,7-8,10-11,13-16H2,1H3,(H,24,28);1H,(H,2,3).
What are the key properties of formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide?
formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methyl-N-[[1-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 154912824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).