(3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C22H38N4O4 — CID 92612252

IUPAC(3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C22H38N4O4/c1-17(27)24-7-5-19(6-8-24)25(10-9-23-11-13-30-14-12-23)21(29)18-15-20(28)26(16-18)22(2,3)4/h18-19H,5-16H2,1-4H3/t18-/m0/s1
InChIKeyPWKGLFVGDVELKX-SFHVURJKSA-N
MW422.57 g/mol
LogP0.81
Rot. Bonds5

About (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92612252) has the molecular formula C22H38N4O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92612252
Molecular FormulaC22H38N4O4
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC Name(3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C22H38N4O4/c1-17(27)24-7-5-19(6-8-24)25(10-9-23-11-13-30-14-12-23)21(29)18-15-20(28)26(16-18)22(2,3)4/h18-19H,5-16H2,1-4H3/t18-/m0/s1
InChIKeyPWKGLFVGDVELKX-SFHVURJKSA-N
XLogP0.81
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-methyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 110752371
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90607382
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-cyclohexyl-N-ethylpiperidine-4-carboxamide
CID 17118971
1-(1-acetylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4062174
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propanamide
CID 90607283
(3S)-1-tert-butyl-N,N-bis(cyanomethyl)-5-oxopyrrolidine-3-carboxamide
CID 9352289
1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17081121
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
N-(2-aminoethyl)-1-tert-butyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120885635
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
CID 108558047
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 92612252) is (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PWKGLFVGDVELKX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H38N4O4/c1-17(27)24-7-5-19(6-8-24)25(10-9-23-11-13-30-14-12-23)21(29)18-15-20(28)26(16-18)22(2,3)4/h18-19H,5-16H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-acetylpiperidin-4-yl)-1-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92612252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).