N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide

C20H33N3O2 — CID 133138396

IUPACN-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESC/C=C(\C)CN1C[C@@H](NC(=O)CCN2CCCCC2=O)[C@H](C2CC2)C1
InChIInChI=1S/C20H33N3O2/c1-3-15(2)12-22-13-17(16-7-8-16)18(14-22)21-19(24)9-11-23-10-5-4-6-20(23)25/h3,16-18H,4-14H2,1-2H3,(H,21,24)/b15-3+/t17-,18+/m0/s1
InChIKeyCBTQSQLGWREDRN-YUTZCPGQSA-N
MW347.50 g/mol
LogP2.18
Rot. Bonds7

About N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide

N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 133138396) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID133138396
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESC/C=C(\C)CN1C[C@@H](NC(=O)CCN2CCCCC2=O)[C@H](C2CC2)C1
InChIInChI=1S/C20H33N3O2/c1-3-15(2)12-22-13-17(16-7-8-16)18(14-22)21-19(24)9-11-23-10-5-4-6-20(23)25/h3,16-18H,4-14H2,1-2H3,(H,21,24)/b15-3+/t17-,18+/m0/s1
InChIKeyCBTQSQLGWREDRN-YUTZCPGQSA-N
XLogP2.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 156603357
N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
CID 154898599
(3R,4S)-3-cyclopropyl-4-[[ethyl(methyl)sulfamoyl]amino]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidine
CID 133122570
N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 133113683
3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 26318438
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
2-(2-oxopiperidin-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78864876
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 131928797
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91762621
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 133265550
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide (CID 133138396) is N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide is C/C=C(\C)CN1C[C@@H](NC(=O)CCN2CCCCC2=O)[C@H](C2CC2)C1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is CBTQSQLGWREDRN-YUTZCPGQSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-3-15(2)12-22-13-17(16-7-8-16)18(14-22)21-19(24)9-11-23-10-5-4-6-20(23)25/h3,16-18H,4-14H2,1-2H3,(H,21,24)/b15-3+/t17-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 347.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 133138396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).