1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide

C26H30N4O5 — CID 45216462

IUPAC1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CC2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1
InChIInChI=1S/C26H30N4O5/c27-24(33)19-7-5-12-29(18-19)22(31)15-26(20-8-2-1-3-9-20)16-23(32)30(25(26)34)13-6-14-35-21-10-4-11-28-17-21/h1-4,8-11,17,19H,5-7,12-16,18H2,(H2,27,33)
InChIKeyCMHGCDOFSHGQQY-UHFFFAOYSA-N
MW478.55 g/mol
LogP1.66
Rot. Bonds9

About 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide

1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide (PubChem CID 45216462) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide
PubChem CID45216462
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CC2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1
InChIInChI=1S/C26H30N4O5/c27-24(33)19-7-5-12-29(18-19)22(31)15-26(20-8-2-1-3-9-20)16-23(32)30(25(26)34)13-6-14-35-21-10-4-11-28-17-21/h1-4,8-11,17,19H,5-7,12-16,18H2,(H2,27,33)
InChIKeyCMHGCDOFSHGQQY-UHFFFAOYSA-N
XLogP1.66
TPSA122.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 45216583
(3R)-3-[2-[(3S)-3-methoxypiperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 26355379
(3S)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 42424315
(3R)-3-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 98582039
2-[(3R)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42429191
2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide
CID 45187724
(3S)-3-[2-(azocan-1-yl)-2-oxoethyl]-3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 42165590
2-[(3R)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 42485318
2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 125160373
2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 26354778
(3S)-1-(cyclohexylmethyl)-3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
CID 42483067
(3S)-3-(3-fluorophenyl)-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 42432454

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide (CID 45216462) is 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CC2(c3ccccc3)CC(=O)N(CCCOc3cccnc3)C2=O)C1.
What is the InChIKey of 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is CMHGCDOFSHGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c27-24(33)19-7-5-12-29(18-19)22(31)15-26(20-8-2-1-3-9-20)16-23(32)30(25(26)34)13-6-14-35-21-10-4-11-28-17-21/h1-4,8-11,17,19H,5-7,12-16,18H2,(H2,27,33).
What are the key properties of 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide?
1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 45216462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).