2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide

C17H32N4O2 — CID 91922799

IUPAC2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N1CCC(CC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)CC1
InChIInChI=1S/C17H32N4O2/c1-13(22)21-7-5-14(6-8-21)9-17(23)18-16-12-20(4)11-15(16)10-19(2)3/h14-16H,5-12H2,1-4H3,(H,18,23)/t15-,16-/m1/s1
InChIKeyZFIZSUIJNAPFSI-HZPDHXFCSA-N
MW324.47 g/mol
LogP0.24
Rot. Bonds5

About 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide

2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide (PubChem CID 91922799) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
PubChem CID91922799
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N1CCC(CC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)CC1
InChIInChI=1S/C17H32N4O2/c1-13(22)21-7-5-14(6-8-21)9-17(23)18-16-12-20(4)11-15(16)10-19(2)3/h14-16H,5-12H2,1-4H3,(H,18,23)/t15-,16-/m1/s1
InChIKeyZFIZSUIJNAPFSI-HZPDHXFCSA-N
XLogP0.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Elastins
CID 439221
Posatirelin
CID 71230
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
L-Alanyl-L-valyl-L-prolyl-L-isoleucinamide
CID 23646361
3-sec-Butyl-pyrrolopiperazine-1,4-dione
CID 6428988
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2-ethylbutyl)pyrrolidine-2-carboxamide
CID 11417324
Cyclo(Ile-Pro)
CID 13654640
(3R,8aS)-Hexahydro-3-(1-methylethyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927560
Cyclo(D-Pro-L-Val)
CID 6992260
Cyclo(L-Pro-L-Ile)
CID 9990707

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide (CID 91922799) is 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide is CC(=O)N1CCC(CC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
The InChIKey is ZFIZSUIJNAPFSI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13(22)21-7-5-14(6-8-21)9-17(23)18-16-12-20(4)11-15(16)10-19(2)3/h14-16H,5-12H2,1-4H3,(H,18,23)/t15-,16-/m1/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91922799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).