[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone

C15H26N2O2 — CID 124596715

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone
SMILESNCCCOC1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1
InChIInChI=1S/C15H26N2O2/c16-6-1-9-19-12-4-7-17(8-5-12)15(18)14-10-13(14)11-2-3-11/h11-14H,1-10,16H2/t13-,14+/m1/s1
InChIKeyLXDLGKMGMPMLBH-KGLIPLIRSA-N
MW266.38 g/mol
LogP1.39
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone

[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone (PubChem CID 124596715) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone
PubChem CID124596715
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone
SMILESNCCCOC1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1
InChIInChI=1S/C15H26N2O2/c16-6-1-9-19-12-4-7-17(8-5-12)15(18)14-10-13(14)11-2-3-11/h11-14H,1-10,16H2/t13-,14+/m1/s1
InChIKeyLXDLGKMGMPMLBH-KGLIPLIRSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone with MolForge

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484157
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone
CID 119664731
1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,4-difluorophenyl)cyclopropyl]methanone
CID 119663551
[4-(3-aminopropoxy)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119663068
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone
CID 82701385

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone (CID 124596715) is [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone is NCCCOC1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone?
The InChIKey is LXDLGKMGMPMLBH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-6-1-9-19-12-4-7-17(8-5-12)15(18)14-10-13(14)11-2-3-11/h11-14H,1-10,16H2/t13-,14+/m1/s1.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone has a molecular weight of 266.38 g/mol, XLogP of 1.39, 6 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]-[(1S,2R)-2-cyclopropylcyclopropyl]methanone is sourced from PubChem (CID 124596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).