5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide

C25H30N4O3 — CID 108924633

IUPAC5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)CC1=O
InChIInChI=1S/C25H30N4O3/c1-18(20-6-3-2-4-7-20)29-17-22(14-23(29)30)24(31)27-15-19-9-12-28(13-10-19)25(32)21-8-5-11-26-16-21/h2-8,11,16,18-19,22H,9-10,12-15,17H2,1H3,(H,27,31)
InChIKeyZEFUTDFTQJTITF-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.66
Rot. Bonds6

About 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide

5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 108924633) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID108924633
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)CC1=O
InChIInChI=1S/C25H30N4O3/c1-18(20-6-3-2-4-7-20)29-17-22(14-23(29)30)24(31)27-15-19-9-12-28(13-10-19)25(32)21-8-5-11-26-16-21/h2-8,11,16,18-19,22H,9-10,12-15,17H2,1H3,(H,27,31)
InChIKeyZEFUTDFTQJTITF-UHFFFAOYSA-N
XLogP2.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119538330
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 120945493
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108924865
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95134283
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide (CID 108924633) is 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide is CC(c1ccccc1)N1CC(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)CC1=O.
What is the InChIKey of 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is ZEFUTDFTQJTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(20-6-3-2-4-7-20)29-17-22(14-23(29)30)24(31)27-15-19-9-12-28(13-10-19)25(32)21-8-5-11-26-16-21/h2-8,11,16,18-19,22H,9-10,12-15,17H2,1H3,(H,27,31).
What are the key properties of 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide?
5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108924633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).