N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C20H35N3O2 — CID 72917340

IUPACN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC(=O)N1C[C@H](NC(=O)CC2CC(C)(C)NC(C)(C)C2)[C@@H](C2CC2)C1
InChIInChI=1S/C20H35N3O2/c1-13(24)23-11-16(15-6-7-15)17(12-23)21-18(25)8-14-9-19(2,3)22-20(4,5)10-14/h14-17,22H,6-12H2,1-5H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyRLMNHWYFIXUADR-SJORKVTESA-N
MW349.52 g/mol
LogP2.31
Rot. Bonds4

About N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 72917340) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID72917340
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC(=O)N1C[C@H](NC(=O)CC2CC(C)(C)NC(C)(C)C2)[C@@H](C2CC2)C1
InChIInChI=1S/C20H35N3O2/c1-13(24)23-11-16(15-6-7-15)17(12-23)21-18(25)8-14-9-19(2,3)22-20(4,5)10-14/h14-17,22H,6-12H2,1-5H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyRLMNHWYFIXUADR-SJORKVTESA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 72917340) is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC(=O)N1C[C@H](NC(=O)CC2CC(C)(C)NC(C)(C)C2)[C@@H](C2CC2)C1.
What is the InChIKey of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is RLMNHWYFIXUADR-SJORKVTESA-N. The full InChI is InChI=1S/C20H35N3O2/c1-13(24)23-11-16(15-6-7-15)17(12-23)21-18(25)8-14-9-19(2,3)22-20(4,5)10-14/h14-17,22H,6-12H2,1-5H3,(H,21,25)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 349.52 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72917340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).