N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide

C20H29N5O — CID 69035007

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide
SMILESCc1cn(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H29N5O/c1-18-15-25(17-22-18)9-7-20(26)21-8-10-23-11-13-24(14-12-23)16-19-5-3-2-4-6-19/h2-6,15,17H,7-14,16H2,1H3,(H,21,26)
InChIKeyQQCLSMLKOVPOPS-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.52
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide (PubChem CID 69035007) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide
PubChem CID69035007
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide
SMILESCc1cn(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H29N5O/c1-18-15-25(17-22-18)9-7-20(26)21-8-10-23-11-13-24(14-12-23)16-19-5-3-2-4-6-19/h2-6,15,17H,7-14,16H2,1H3,(H,21,26)
InChIKeyQQCLSMLKOVPOPS-UHFFFAOYSA-N
XLogP1.52
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide (CID 69035007) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide is Cc1cn(CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide?
The InChIKey is QQCLSMLKOVPOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-18-15-25(17-22-18)9-7-20(26)21-8-10-23-11-13-24(14-12-23)16-19-5-3-2-4-6-19/h2-6,15,17H,7-14,16H2,1H3,(H,21,26).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide has a molecular weight of 355.49 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 69035007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).