2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide

C17H32N4O3 — CID 129462004

IUPAC2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C17H32N4O3/c1-13-9-19(11-17(23)18-14(2)12-24-4)10-16(13)21-7-5-20(6-8-21)15(3)22/h13-14,16H,5-12H2,1-4H3,(H,18,23)/t13-,14+,16-/m1/s1
InChIKeyUDGLVUOGQYOVOF-IJEWVQPXSA-N
MW340.47 g/mol
LogP-0.38
Rot. Bonds6

About 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide

2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 129462004) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID129462004
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C17H32N4O3/c1-13-9-19(11-17(23)18-14(2)12-24-4)10-16(13)21-7-5-20(6-8-21)15(3)22/h13-14,16H,5-12H2,1-4H3,(H,18,23)/t13-,14+,16-/m1/s1
InChIKeyUDGLVUOGQYOVOF-IJEWVQPXSA-N
XLogP-0.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 129462004) is 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is UDGLVUOGQYOVOF-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-13-9-19(11-17(23)18-14(2)12-24-4)10-16(13)21-7-5-20(6-8-21)15(3)22/h13-14,16H,5-12H2,1-4H3,(H,18,23)/t13-,14+,16-/m1/s1.
What are the key properties of 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 129462004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).