2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide

C14H23N5O — CID 70473763

IUPAC2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide
SMILESNCC(N)(C(N)=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H23N5O/c15-11-14(17,13(16)20)19-8-6-18(7-9-19)10-12-4-2-1-3-5-12/h1-5H,6-11,15,17H2,(H2,16,20)
InChIKeyYSZFCYYLWYBCIR-UHFFFAOYSA-N
MW277.37 g/mol
LogP-1.10
Rot. Bonds5

About 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide

2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide (PubChem CID 70473763) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide
PubChem CID70473763
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide
SMILESNCC(N)(C(N)=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H23N5O/c15-11-14(17,13(16)20)19-8-6-18(7-9-19)10-12-4-2-1-3-5-12/h1-5H,6-11,15,17H2,(H2,16,20)
InChIKeyYSZFCYYLWYBCIR-UHFFFAOYSA-N
XLogP-1.10
TPSA101.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide
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CID 60649722
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
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2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
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5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
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4-benzyl-1-ethylpiperazin-1-ium-1-carboxamide
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dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide?
The IUPAC name of 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide (CID 70473763) is 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide?
The canonical SMILES for 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide is NCC(N)(C(N)=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide?
The InChIKey is YSZFCYYLWYBCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-11-14(17,13(16)20)19-8-6-18(7-9-19)10-12-4-2-1-3-5-12/h1-5H,6-11,15,17H2,(H2,16,20).
What are the key properties of 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide?
2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide is sourced from PubChem (CID 70473763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).