2-butoxy-N-(3-methylpiperidin-4-yl)propanamide

C13H26N2O2 — CID 120553227

IUPAC2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
SMILESCCCCOC(C)C(=O)NC1CCNCC1C
InChIInChI=1S/C13H26N2O2/c1-4-5-8-17-11(3)13(16)15-12-6-7-14-9-10(12)2/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyRDYODAFCFCAOHK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds6

About 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide

2-butoxy-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120553227) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120553227
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-butoxy-N-(3-methylpiperidin-4-yl)propanamide
SMILESCCCCOC(C)C(=O)NC1CCNCC1C
InChIInChI=1S/C13H26N2O2/c1-4-5-8-17-11(3)13(16)15-12-6-7-14-9-10(12)2/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyRDYODAFCFCAOHK-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
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-(carbamoylamino)-N-(3-methylpiperidin-4-yl)hexanamide
CID 120555425
2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553673
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide
CID 120556674
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556673
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120557800
N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120553440
N-(3-methylpiperidin-4-yl)-2-phenylpentanamide
CID 120556814
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120556998
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
CID 120556023

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide (CID 120553227) is 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide is CCCCOC(C)C(=O)NC1CCNCC1C.
What is the InChIKey of 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is RDYODAFCFCAOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-8-17-11(3)13(16)15-12-6-7-14-9-10(12)2/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide?
2-butoxy-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120553227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).