N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C21H35N3O3 — CID 45200305

IUPACN-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H35N3O3/c25-19-10-6-13-23(19)14-7-15-24-16-17(11-12-20(24)26)21(27)22-18-8-4-2-1-3-5-9-18/h17-18H,1-16H2,(H,22,27)
InChIKeyUERICGLECOTTJT-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.47
Rot. Bonds6

About N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 45200305) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID45200305
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H35N3O3/c25-19-10-6-13-23(19)14-7-15-24-16-17(11-12-20(24)26)21(27)22-18-8-4-2-1-3-5-9-18/h17-18H,1-16H2,(H,22,27)
InChIKeyUERICGLECOTTJT-UHFFFAOYSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1H-imidazol-2-ylmethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 97126009
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42358325
(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25460654
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
(3R)-N-[2-(4-chlorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 95221049
(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 97113305
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one
CID 56707500
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26407076
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45224796
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 45200305) is N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is O=C(NC1CCCCCCC1)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is UERICGLECOTTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c25-19-10-6-13-23(19)14-7-15-24-16-17(11-12-20(24)26)21(27)22-18-8-4-2-1-3-5-9-18/h17-18H,1-16H2,(H,22,27).
What are the key properties of N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 45200305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).