[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone

C13H26N4O — CID 79155437

IUPAC[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESNCCCN1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H26N4O/c14-5-4-6-15-9-11-17(12-10-15)13(18)16-7-2-1-3-8-16/h1-12,14H2
InChIKeyNQQXSIUEAJAVQU-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.56
Rot. Bonds3

About [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone

[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 79155437) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID79155437
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
SMILESNCCCN1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H26N4O/c14-5-4-6-15-9-11-17(12-10-15)13(18)16-7-2-1-3-8-16/h1-12,14H2
InChIKeyNQQXSIUEAJAVQU-UHFFFAOYSA-N
XLogP0.56
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79152798
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159617
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2,2,2-trifluoroethanone
CID 107334920
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(1-methylcyclohexyl)methanone
CID 106825954
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 61277558

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone (CID 79155437) is [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone is NCCCN1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is NQQXSIUEAJAVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c14-5-4-6-15-9-11-17(12-10-15)13(18)16-7-2-1-3-8-16/h1-12,14H2.
What are the key properties of [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone?
[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 254.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 79155437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).