[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C15H23N3O — CID 109224538

IUPAC[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCCCNc1cncc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-2-3-7-17-14-10-13(11-16-12-14)15(19)18-8-5-4-6-9-18/h10-12,17H,2-9H2,1H3
InChIKeyFMNVZTUCBCELCR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds5

About [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109224538) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109224538
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCCCNc1cncc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-2-3-7-17-14-10-13(11-16-12-14)15(19)18-8-5-4-6-9-18/h10-12,17H,2-9H2,1H3
InChIKeyFMNVZTUCBCELCR-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
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

[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225306
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109226302
N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222

Frequently Asked Questions

What is the IUPAC name of [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 109224538) is [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone is CCCCNc1cncc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is FMNVZTUCBCELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-7-17-14-10-13(11-16-12-14)15(19)18-8-5-4-6-9-18/h10-12,17H,2-9H2,1H3.
What are the key properties of [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 261.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109224538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).