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

C17H30N4O2 — CID 98772786

IUPAC2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)N1CCN([C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]2C)CC1
InChIInChI=1S/C17H30N4O2/c1-13-10-19(12-17(23)18-9-15-3-4-15)11-16(13)21-7-5-20(6-8-21)14(2)22/h13,15-16H,3-12H2,1-2H3,(H,18,23)/t13-,16+/m0/s1
InChIKeyISZASZLRQNJZPR-XJKSGUPXSA-N
MW322.45 g/mol
LogP-0.00
Rot. Bonds5

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

2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 98772786) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID98772786
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)N1CCN([C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]2C)CC1
InChIInChI=1S/C17H30N4O2/c1-13-10-19(12-17(23)18-9-15-3-4-15)11-16(13)21-7-5-20(6-8-21)14(2)22/h13,15-16H,3-12H2,1-2H3,(H,18,23)/t13-,16+/m0/s1
InChIKeyISZASZLRQNJZPR-XJKSGUPXSA-N
XLogP-0.00
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 71872029
2-[(3S,4R)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 129462004
1-[4-[1-(2-cyclopentylethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 71927805
1-[4-[(3S,4R)-4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 129461809
2-[(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]ethanesulfonamide
CID 96513126
1-[4-[(3S,4S)-4-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837891
1-[4-[4-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone
CID 71927787
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
N-(cyclopropylmethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500254
N-[2-[(3S,4R)-3-(4-acetyl-1,4-diazepan-1-yl)-4-methylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 129490348
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 98772786) is 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide is CC(=O)N1CCN([C@@H]2CN(CC(=O)NCC3CC3)C[C@@H]2C)CC1.
What is the InChIKey of 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is ISZASZLRQNJZPR-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13-10-19(12-17(23)18-9-15-3-4-15)11-16(13)21-7-5-20(6-8-21)14(2)22/h13,15-16H,3-12H2,1-2H3,(H,18,23)/t13-,16+/m0/s1.
What are the key properties of 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 322.45 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 98772786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).