2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

C20H32N4O — CID 119530332

IUPAC2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CN1CCN(Cc2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C20H32N4O/c1-2-10-24(19-8-9-21-15-19)20(25)17-23-13-11-22(12-14-23)16-18-6-4-3-5-7-18/h3-7,19,21H,2,8-17H2,1H3
InChIKeyGZXLPTGYBFEPOW-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.40
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119530332) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID119530332
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CN1CCN(Cc2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C20H32N4O/c1-2-10-24(19-8-9-21-15-19)20(25)17-23-13-11-22(12-14-23)16-18-6-4-3-5-7-18/h3-7,19,21H,2,8-17H2,1H3
InChIKeyGZXLPTGYBFEPOW-UHFFFAOYSA-N
XLogP1.40
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119532295
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772
1-benzyl-6-oxo-N-propyl-N-pyrrolidin-3-ylpyridazine-3-carboxamide
CID 119532868
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531551
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 119530332) is 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)CN1CCN(Cc2ccccc2)CC1)C1CCNC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is GZXLPTGYBFEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-10-24(19-8-9-21-15-19)20(25)17-23-13-11-22(12-14-23)16-18-6-4-3-5-7-18/h3-7,19,21H,2,8-17H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 344.50 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119530332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).