2-bromo-N-(1-ethylpiperidin-3-yl)propanamide

C10H19BrN2O — CID 107904785

IUPAC2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
SMILESCCN1CCCC(NC(=O)C(C)Br)C1
InChIInChI=1S/C10H19BrN2O/c1-3-13-6-4-5-9(7-13)12-10(14)8(2)11/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyCEVAEZAZJGYRKX-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.37
Rot. Bonds3

About 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide

2-bromo-N-(1-ethylpiperidin-3-yl)propanamide (PubChem CID 107904785) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
PubChem CID107904785
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
SMILESCCN1CCCC(NC(=O)C(C)Br)C1
InChIInChI=1S/C10H19BrN2O/c1-3-13-6-4-5-9(7-13)12-10(14)8(2)11/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyCEVAEZAZJGYRKX-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926150
2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide
CID 55080821
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
1-ethyl-3-(1-ethylpiperidin-3-yl)-1-methylurea
CID 115604545
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
3-[(1-ethylpiperidin-3-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61478465
2-[(1-ethylpiperidin-3-yl)carbamoylamino]-3-methylpentanoic acid
CID 61478379

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide?
The IUPAC name of 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide (CID 107904785) is 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide is CCN1CCCC(NC(=O)C(C)Br)C1.
What is the InChIKey of 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide?
The InChIKey is CEVAEZAZJGYRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O/c1-3-13-6-4-5-9(7-13)12-10(14)8(2)11/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide?
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide has a molecular weight of 263.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylpiperidin-3-yl)propanamide is sourced from PubChem (CID 107904785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).