2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C15H30N4O — CID 43253082

IUPAC2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNCCCCCN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H30N4O/c16-6-2-1-3-7-17-10-12-18(13-11-17)14-15(20)19-8-4-5-9-19/h1-14,16H2
InChIKeyTTZAQNPSANFEMH-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.36
Rot. Bonds7

About 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 43253082) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID43253082
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNCCCCCN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C15H30N4O/c16-6-2-1-3-7-17-10-12-18(13-11-17)14-15(20)19-8-4-5-9-19/h1-14,16H2
InChIKeyTTZAQNPSANFEMH-UHFFFAOYSA-N
XLogP0.36
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
1-(azepan-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 110923764
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 79155437
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]butan-1-one
CID 43251859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 43253082) is 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is NCCCCCN1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is TTZAQNPSANFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c16-6-2-1-3-7-17-10-12-18(13-11-17)14-15(20)19-8-4-5-9-19/h1-14,16H2.
What are the key properties of 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 282.43 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43253082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).