3-(4-butan-2-ylpiperazin-1-yl)propanamide

C11H23N3O — CID 62772700

IUPAC3-(4-butan-2-ylpiperazin-1-yl)propanamide
SMILESCCC(C)N1CCN(CCC(N)=O)CC1
InChIInChI=1S/C11H23N3O/c1-3-10(2)14-8-6-13(7-9-14)5-4-11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyJDDGPUWCEYUNDK-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds5

About 3-(4-butan-2-ylpiperazin-1-yl)propanamide

3-(4-butan-2-ylpiperazin-1-yl)propanamide (PubChem CID 62772700) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)propanamide
PubChem CID62772700
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)propanamide
SMILESCCC(C)N1CCN(CCC(N)=O)CC1
InChIInChI=1S/C11H23N3O/c1-3-10(2)14-8-6-13(7-9-14)5-4-11(12)15/h10H,3-9H2,1-2H3,(H2,12,15)
InChIKeyJDDGPUWCEYUNDK-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
4-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid
CID 65248291
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
CID 62772520
methyl 4-(4-butan-2-ylpiperazin-1-yl)-2-(ethylamino)butanoate
CID 63054877
ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
CID 115537131
5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
CID 63573948
N-(3-amino-3-sulfanylidenepropyl)-2-(4-butan-2-ylpiperazin-1-yl)-N-methylacetamide
CID 62772671
2-[4,7-bis(carboxymethyl)-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4,7-bis(carboxymethyl)-10-(3-oxobutyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4,7-bis(carboxymethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-butan-2-yl-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 165086133
butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
CID 62775211

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)propanamide (CID 62772700) is 3-(4-butan-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)propanamide is CCC(C)N1CCN(CCC(N)=O)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)propanamide?
The InChIKey is JDDGPUWCEYUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(2)14-8-6-13(7-9-14)5-4-11(12)15/h10H,3-9H2,1-2H3,(H2,12,15).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)propanamide?
3-(4-butan-2-ylpiperazin-1-yl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 62772700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).