2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide

C19H29N3O — CID 5136453

IUPAC2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-16(19(23)20-18-9-5-6-10-18)22-13-11-21(12-14-22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,20,23)
InChIKeyGDUJMGMGOGAWPE-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide

2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide (PubChem CID 5136453) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
PubChem CID5136453
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-16(19(23)20-18-9-5-6-10-18)22-13-11-21(12-14-22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,20,23)
InChIKeyGDUJMGMGOGAWPE-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide (CID 5136453) is 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
The InChIKey is GDUJMGMGOGAWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16(19(23)20-18-9-5-6-10-18)22-13-11-21(12-14-22)15-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,20,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide?
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide has a molecular weight of 315.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide is sourced from PubChem (CID 5136453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).