[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone

C13H25N3O2 — CID 79735842

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESNCCCOC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N3O2/c14-6-3-11-18-12-4-9-16(10-5-12)13(17)15-7-1-2-8-15/h12H,1-11,14H2
InChIKeyUKNNDLWLVSZWMP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.03
Rot. Bonds4

About [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 79735842) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID79735842
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESNCCCOC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N3O2/c14-6-3-11-18-12-4-9-16(10-5-12)13(17)15-7-1-2-8-15/h12H,1-11,14H2
InChIKeyUKNNDLWLVSZWMP-UHFFFAOYSA-N
XLogP1.03
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484157
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119661869
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 79735000
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone
CID 124596715
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 79735842) is [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone is NCCCOC1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UKNNDLWLVSZWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-6-3-11-18-12-4-9-16(10-5-12)13(17)15-7-1-2-8-15/h12H,1-11,14H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 255.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 79735842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).