[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

C14H23N3O2 — CID 119664331

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H23N3O2/c1-11-13(3-7-16-11)14(18)17-8-4-12(5-9-17)19-10-2-6-15/h3,7,12,16H,2,4-6,8-10,15H2,1H3
InChIKeyLFWKQCFWXOCUAO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.29
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 119664331) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID119664331
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H23N3O2/c1-11-13(3-7-16-11)14(18)17-8-4-12(5-9-17)19-10-2-6-15/h3,7,12,16H,2,4-6,8-10,15H2,1H3
InChIKeyLFWKQCFWXOCUAO-UHFFFAOYSA-N
XLogP1.29
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1H-pyrrol-3-yl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860925
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119376460
[4-(3-aminopropoxy)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 79734997
[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 79736339
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119661509
[4-(3-aminopropoxy)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119663751
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone
CID 119663065
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807747
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 79736213

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (CID 119664331) is [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is Cc1[nH]ccc1C(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is LFWKQCFWXOCUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-13(3-7-16-11)14(18)17-8-4-12(5-9-17)19-10-2-6-15/h3,7,12,16H,2,4-6,8-10,15H2,1H3.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 119664331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).