1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one

C18H25N3O2 — CID 143057863

IUPAC1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESNCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1
InChIInChI=1S/C18H25N3O2/c19-12-18(23)20-10-7-14(8-11-20)16-5-2-1-4-15(16)13-21-9-3-6-17(21)22/h1-2,4-5,14H,3,6-13,19H2
InChIKeyQDVNWNJWOGZTHO-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.47
Rot. Bonds4

About 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one

1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 143057863) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID143057863
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESNCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1
InChIInChI=1S/C18H25N3O2/c19-12-18(23)20-10-7-14(8-11-20)16-5-2-1-4-15(16)13-21-9-3-6-17(21)22/h1-2,4-5,14H,3,6-13,19H2
InChIKeyQDVNWNJWOGZTHO-UHFFFAOYSA-N
XLogP1.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide
CID 143057845
1-amino-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1,4-xylene
CID 143057849
7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142942043
6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142941872
6-hydroxy-7-methoxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142942039
6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
CID 142941975
N-[(2R)-1-(4-chlorophenyl)-4-oxo-4-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 10484381
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
6-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768392
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxoazepan-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768328
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-ethyl-4-oxochromene-2-carboxamide
CID 58768155
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-5,7-dihydroxy-4-oxochromene-2-carboxamide
CID 58768133

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one (CID 143057863) is 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one is NCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1.
What is the InChIKey of 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is QDVNWNJWOGZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-12-18(23)20-10-7-14(8-11-20)16-5-2-1-4-15(16)13-21-9-3-6-17(21)22/h1-2,4-5,14H,3,6-13,19H2.
What are the key properties of 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-(2-aminoacetyl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 143057863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).