N-benzyl-2-pyrazolidin-1-ylacetamide

C12H17N3O — CID 130927629

IUPACN-benzyl-2-pyrazolidin-1-ylacetamide
SMILESO=C(CN1CCCN1)NCc1ccccc1
InChIInChI=1S/C12H17N3O/c16-12(10-15-8-4-7-14-15)13-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,13,16)
InChIKeyCMOCXSBJUKVSBC-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.51
Rot. Bonds4

About N-benzyl-2-pyrazolidin-1-ylacetamide

N-benzyl-2-pyrazolidin-1-ylacetamide (PubChem CID 130927629) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-benzyl-2-pyrazolidin-1-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-pyrazolidin-1-ylacetamide
PubChem CID130927629
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-benzyl-2-pyrazolidin-1-ylacetamide
SMILESO=C(CN1CCCN1)NCc1ccccc1
InChIInChI=1S/C12H17N3O/c16-12(10-15-8-4-7-14-15)13-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,13,16)
InChIKeyCMOCXSBJUKVSBC-UHFFFAOYSA-N
XLogP0.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371
N-benzyl-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757524
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 18137664
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-pyrazolidin-1-ylacetamide?
The IUPAC name of N-benzyl-2-pyrazolidin-1-ylacetamide (CID 130927629) is N-benzyl-2-pyrazolidin-1-ylacetamide.
What is the SMILES notation for N-benzyl-2-pyrazolidin-1-ylacetamide?
The canonical SMILES for N-benzyl-2-pyrazolidin-1-ylacetamide is O=C(CN1CCCN1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-pyrazolidin-1-ylacetamide?
The InChIKey is CMOCXSBJUKVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(10-15-8-4-7-14-15)13-9-11-5-2-1-3-6-11/h1-3,5-6,14H,4,7-10H2,(H,13,16).
What are the key properties of N-benzyl-2-pyrazolidin-1-ylacetamide?
N-benzyl-2-pyrazolidin-1-ylacetamide has a molecular weight of 219.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-pyrazolidin-1-ylacetamide is sourced from PubChem (CID 130927629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).