N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

C15H25N3O3 — CID 177056527

IUPACN-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCC(=O)N1CCC(CNC(=O)CCC(=O)N2CCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-12(19)18-9-6-13(11-18)10-16-14(20)4-5-15(21)17-7-2-3-8-17/h13H,2-11H2,1H3,(H,16,20)
InChIKeyNJBCZMICHNKELH-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.37
Rot. Bonds5

About N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 177056527) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID177056527
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCC(=O)N1CCC(CNC(=O)CCC(=O)N2CCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-12(19)18-9-6-13(11-18)10-16-14(20)4-5-15(21)17-7-2-3-8-17/h13H,2-11H2,1H3,(H,16,20)
InChIKeyNJBCZMICHNKELH-UHFFFAOYSA-N
XLogP0.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125
1-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethanone
CID 96555598
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4739853
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
1-[(3S)-3-[[[2,3-dihydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrrolidin-1-yl]ethanone
CID 175786713
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 177056527) is N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is CC(=O)N1CCC(CNC(=O)CCC(=O)N2CCCC2)C1.
What is the InChIKey of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is NJBCZMICHNKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(19)18-9-6-13(11-18)10-16-14(20)4-5-15(21)17-7-2-3-8-17/h13H,2-11H2,1H3,(H,16,20).
What are the key properties of N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 295.38 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpyrrolidin-3-yl)methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 177056527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).