CID 59803139

C10H16BBrN2O2 — CID 59803139

IUPAC—
SMILES[B]C(=O)NC1CCN(C(=O)CCCBr)CC1
InChIInChI=1S/C10H16BBrN2O2/c11-10(16)13-8-3-6-14(7-4-8)9(15)2-1-5-12/h8H,1-7H2,(H,13,16)
InChIKeyDEVVYAKPFZRZGS-UHFFFAOYSA-N
MW286.97 g/mol
LogP1.03
Rot. Bonds4

About CID 59803139

CID 59803139 (PubChem CID 59803139) has the molecular formula C10H16BBrN2O2 and a molecular weight of 286.97 g/mol.

Molecular Properties

Compound NameCID 59803139
PubChem CID59803139
Molecular FormulaC10H16BBrN2O2
Molecular Weight286.97 g/mol
Exact Mass286.05
IUPAC Name—
SMILES[B]C(=O)NC1CCN(C(=O)CCCBr)CC1
InChIInChI=1S/C10H16BBrN2O2/c11-10(16)13-8-3-6-14(7-4-8)9(15)2-1-5-12/h8H,1-7H2,(H,13,16)
InChIKeyDEVVYAKPFZRZGS-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.97
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-ethyl-N-(1-pentanoylpiperidin-4-yl)butanamide
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1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
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N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
1,1-diethyl-3-(1-pentanoylpiperidin-4-yl)urea
CID 108566126
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
CID 114014883
N-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]carbamate
CID 23153551

Frequently Asked Questions

What is the IUPAC name of CID 59803139?
The IUPAC name of CID 59803139 (CID 59803139) is not available.
What is the SMILES notation for CID 59803139?
The canonical SMILES for CID 59803139 is [B]C(=O)NC1CCN(C(=O)CCCBr)CC1.
What is the InChIKey of CID 59803139?
The InChIKey is DEVVYAKPFZRZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BBrN2O2/c11-10(16)13-8-3-6-14(7-4-8)9(15)2-1-5-12/h8H,1-7H2,(H,13,16).
What are the key properties of CID 59803139?
CID 59803139 has a molecular weight of 286.97 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59803139 is sourced from PubChem (CID 59803139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).